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3-({cyclopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-7-methyl-1,2-dihydroquinolin-2-one

ChemBase ID: 340095
Molecular Formular: C19H22N4O
Molecular Mass: 322.40418
Monoisotopic Mass: 322.17936134
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c2c(c1)ccc(c2)C)CN(C1CC1)Cc1n(ccn1)C
Canonical SMILES:
Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C1CC1)Cc1nccn1C
InChI:
InChI=1S/C19H22N4O/c1-13-3-4-14-10-15(19(24)21-17(14)9-13)11-23(16-5-6-16)12-18-20-7-8-22(18)2/h3-4,7-10,16H,5-6,11-12H2,1-2H3,(H,21,24)
InChIKey:
ZPYVLQDRIMDOLK-UHFFFAOYSA-N

Cite this record

CBID:340095 http://www.chembase.cn/molecule-340095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-({cyclopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-7-methyl-1,2-dihydroquinolin-2-one
IUPAC Traditional name
3-({cyclopropyl[(1-methylimidazol-2-yl)methyl]amino}methyl)-7-methyl-1H-quinolin-2-one
Synonyms
3-({cyclopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-7-methylquinolin-2(1H)-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.559287  H Acceptors
H Donor LogD (pH = 5.5) 1.2249341 
LogD (pH = 7.4) 2.2312243  Log P 2.3024998 
Molar Refractivity 97.1813 cm3 Polarizability 36.088654 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.38  LOG S -3.58 
Polar Surface Area 53.92 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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