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N-cyclopropyl-2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]quinoline-4-carboxamide

ChemBase ID: 320445
Molecular Formular: C20H22N4O
Molecular Mass: 334.41488
Monoisotopic Mass: 334.17936134
SMILES and InChIs

SMILES:
C(=O)(c1c2c(nc(c1)C)ccc(c2)C)N(Cc1n(ccn1)C)C1CC1
Canonical SMILES:
Cc1ccc2c(c1)c(cc(n2)C)C(=O)N(C1CC1)Cc1nccn1C
InChI:
InChI=1S/C20H22N4O/c1-13-4-7-18-16(10-13)17(11-14(2)22-18)20(25)24(15-5-6-15)12-19-21-8-9-23(19)3/h4,7-11,15H,5-6,12H2,1-3H3
InChIKey:
RFQKDZXPJANMMQ-UHFFFAOYSA-N

Cite this record

CBID:320445 http://www.chembase.cn/molecule-320445.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]quinoline-4-carboxamide
IUPAC Traditional name
N-cyclopropyl-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
Synonyms
N-cyclopropyl-2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]quinoline-4-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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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) 1.8887621  LogD (pH = 7.4) 2.4243824 
Log P 2.4420946  Molar Refractivity 97.4861 cm3
Polarizability 38.11936 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.27  LOG S -3.58 
Polar Surface Area 51.02 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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