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3-({methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-2-one

ChemBase ID: 866287
Molecular Formular: C19H22N4O
Molecular Mass: 322.40418
Monoisotopic Mass: 322.17936134
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c2c(c1)cc1c(c2)CCC1)CN(Cc1n(ccn1)C)C
Canonical SMILES:
CN(Cc1nccn1C)Cc1cc2cc3CCCc3cc2[nH]c1=O
InChI:
InChI=1S/C19H22N4O/c1-22(12-18-20-6-7-23(18)2)11-16-9-15-8-13-4-3-5-14(13)10-17(15)21-19(16)24/h6-10H,3-5,11-12H2,1-2H3,(H,21,24)
InChIKey:
JVWYOVWHHXDUOV-UHFFFAOYSA-N

Cite this record

CBID:866287 http://www.chembase.cn/molecule-866287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-({methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-1H,2H,6H,7H,8H-cyclopenta[g]quinolin-2-one
IUPAC Traditional name
3-({methyl[(1-methylimidazol-2-yl)methyl]amino}methyl)-1H,6H,7H,8H-cyclopenta[g]quinolin-2-one
Synonyms
3-({methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)-1,6,7,8-tetrahydro-2H-cyclopenta[g]quinolin-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66830950 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.82549  H Acceptors
H Donor LogD (pH = 5.5) 1.2896729 
LogD (pH = 7.4) 2.2656882  Log P 2.3311994 
Molar Refractivity 97.8101 cm3 Polarizability 36.008434 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.68  LOG S -3.84 
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

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