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N-{[2-(4-acetylpiperazin-1-yl)-7-methoxyquinolin-3-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide

ChemBase ID: 320644
Molecular Formular: C27H38N4O4
Molecular Mass: 482.61502
Monoisotopic Mass: 482.28930572
SMILES and InChIs

SMILES:
c1(c(CN(C(=O)CC2CCCC2)CCOC)cc2c(n1)cc(cc2)OC)N1CCN(C(=O)C)CC1
Canonical SMILES:
COCCN(C(=O)CC1CCCC1)Cc1cc2ccc(cc2nc1N1CCN(CC1)C(=O)C)OC
InChI:
InChI=1S/C27H38N4O4/c1-20(32)29-10-12-30(13-11-29)27-23(17-22-8-9-24(35-3)18-25(22)28-27)19-31(14-15-34-2)26(33)16-21-6-4-5-7-21/h8-9,17-18,21H,4-7,10-16,19H2,1-3H3
InChIKey:
PACVEPYYYAMXPN-UHFFFAOYSA-N

Cite this record

CBID:320644 http://www.chembase.cn/molecule-320644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(4-acetylpiperazin-1-yl)-7-methoxyquinolin-3-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide
IUPAC Traditional name
N-{[2-(4-acetylpiperazin-1-yl)-7-methoxyquinolin-3-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide
Synonyms
N-{[2-(4-acetyl-1-piperazinyl)-7-methoxy-3-quinolinyl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11034620 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)
H Acceptors H Donor
LogD (pH = 5.5) 2.2363398  LogD (pH = 7.4) 2.7168818 
Log P 2.7285953  Molar Refractivity 136.5396 cm3
Polarizability 53.544243 Å3 Polar Surface Area 75.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.53  LOG S -3.66 
Polar Surface Area 75.21 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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