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2-[4-(furan-2-carbonyl)-decahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
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ChemBase ID:
133946
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Molecular Formular:
C23H28ClN5O4
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Molecular Mass:
473.95252
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Monoisotopic Mass:
473.18298208
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SMILES and InChIs
SMILES:
COc1cc2c(cc1OC)nc(nc2N)N1CCN(C2C1CCCC2)C(=O)c1ccco1.Cl
Canonical SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1CCN(C2C1CCCC2)C(=O)c1ccco1.Cl
InChI:
InChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H
InChIKey:
SKDIDWRQDBIQBS-UHFFFAOYSA-N
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Cite this record
CBID:133946 http://www.chembase.cn/molecule-133946.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(furan-2-carbonyl)-decahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
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IUPAC Traditional name
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2-[4-(furan-2-carbonyl)-octahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
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Synonyms
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1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl) decahydroquinoxaline
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Cyclazosin hydrochloride
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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7
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H Donor
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1
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LogD (pH = 5.5)
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1.5825866
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LogD (pH = 7.4)
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2.8543413
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Log P
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3.0649855
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Molar Refractivity
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120.5815 cm3
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Polarizability
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45.943306 Å3
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Polar Surface Area
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106.95 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent