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N-methyl-1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}-N-(propan-2-yl)piperidine-4-carboxamide

ChemBase ID: 370085
Molecular Formular: C22H30N4O
Molecular Mass: 366.4998
Monoisotopic Mass: 366.2419616
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)C)cc1c(c2)CCC1)N1CCC(C(=O)N(C(C)C)C)CC1
Canonical SMILES:
CC(N(C(=O)C1CCN(CC1)c1nc(C)c2c(n1)cc1c(c2)CCC1)C)C
InChI:
InChI=1S/C22H30N4O/c1-14(2)25(4)21(27)16-8-10-26(11-9-16)22-23-15(3)19-12-17-6-5-7-18(17)13-20(19)24-22/h12-14,16H,5-11H2,1-4H3
InChIKey:
ZFWIVGWXYBCYDP-UHFFFAOYSA-N

Cite this record

CBID:370085 http://www.chembase.cn/molecule-370085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}-N-(propan-2-yl)piperidine-4-carboxamide
IUPAC Traditional name
N-isopropyl-N-methyl-1-{4-methyl-6H,7H,8H-cyclopenta[g]quinazolin-2-yl}piperidine-4-carboxamide
Synonyms
N-isopropyl-N-methyl-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-4-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.6676738  LogD (pH = 7.4) 3.8352218 
Log P 3.8378513  Molar Refractivity 109.8127 cm3
Polarizability 42.492348 Å3 Polar Surface Area 49.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.4  LOG S -6.26 
Polar Surface Area 49.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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