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1H,2H,3H,4H-pyrido[4,3-b]1,6-naphthyridine
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ChemBase ID:
10223
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Molecular Formular:
C11H11N3
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Molecular Mass:
185.22514
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Monoisotopic Mass:
185.09529737
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SMILES and InChIs
SMILES:
n1ccc2c(c1)cc1c(n2)CCNC1
Canonical SMILES:
C1NCc2c(C1)nc1c(c2)cncc1
InChI:
InChI=1S/C11H11N3/c1-3-12-6-8-5-9-7-13-4-2-11(9)14-10(1)8/h1,3,5-6,13H,2,4,7H2
InChIKey:
AIABLTNJAVAKTJ-UHFFFAOYSA-N
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Cite this record
CBID:10223 http://www.chembase.cn/molecule-10223.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1H,2H,3H,4H-pyrido[4,3-b]1,6-naphthyridine
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IUPAC Traditional name
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1H,2H,3H,4H-pyrido[4,3-b]1,6-naphthyridine
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Synonyms
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1,2,3,4-Tetrahydropyrido-[4,3-b]-[1,6]-naphthyridine
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1,2,3,4-Tetrahydropyrido-[4,3-b][1,6]-naphthyridine
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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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3
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H Donor
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1
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LogD (pH = 5.5)
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-2.500338
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LogD (pH = 7.4)
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-0.9900913
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Log P
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0.5412888
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Molar Refractivity
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53.8022 cm3
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Polarizability
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22.329958 Å3
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Polar Surface Area
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37.81 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent