2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one

C30H29F2NO2 — CID 20586675

IUPAC2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one
SMILESCc1ccc(C(=O)c2c(C3CCCC3)nc3c(c2-c2ccc(F)c(F)c2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H29F2NO2/c1-17-8-10-19(11-9-17)29(35)27-25(20-12-13-21(31)22(32)14-20)26-23(15-30(2,3)16-24(26)34)33-28(27)18-6-4-5-7-18/h8-14,18H,4-7,15-16H2,1-3H3
InChIKeyCIPAZHFQUSECSB-UHFFFAOYSA-N
MW473.56 g/mol
LogP7.38
Rot. Bonds4

About 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one

2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one (PubChem CID 20586675) has the molecular formula C30H29F2NO2 and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one
PubChem CID20586675
Molecular FormulaC30H29F2NO2
Molecular Weight473.56 g/mol
Exact Mass473.22
IUPAC Name2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one
SMILESCc1ccc(C(=O)c2c(C3CCCC3)nc3c(c2-c2ccc(F)c(F)c2)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H29F2NO2/c1-17-8-10-19(11-9-17)29(35)27-25(20-12-13-21(31)22(32)14-20)26-23(15-30(2,3)16-24(26)34)33-28(27)18-6-4-5-7-18/h8-14,18H,4-7,15-16H2,1-3H3
InChIKeyCIPAZHFQUSECSB-UHFFFAOYSA-N
XLogP7.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one with MolForge

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Related Compounds

3,3,6,6-Tetramethyl-3,4,6,7-tetrahydro-2H,5H-acridine-1,8-dione
CID 612113
2,7,7-trimethyl-7,8-dihydro-5(6H)-quinolinone
CID 5055591
(2-Methyl-4-phenyl-3-quinolinyl)(phenyl)methanone
CID 1215171
(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 51134246
8-(4-fluoroanilino)-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 53376050
2-(2,8-Dimethylquinoline-3-carbonyl)-5-methylcyclohexane-1,3-dione
CID 137636831
2-(2,8-Dimethylquinoline-3-carbonyl)cyclohexane-1,3-dione
CID 137647588
(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 156015715
3,3,9-Trimethyl-2,4-dihydroacridin-1-one;hydrochloride
CID 16196819
7,7-Dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
CID 12317599
3-(2-Fluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
CID 5331678
1-(2-Methyl-5,6,7,8-tetrahydro-3-quinolinyl)-3-phenyl-2-propen-1-one
CID 5720078

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one (CID 20586675) is 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one is Cc1ccc(C(=O)c2c(C3CCCC3)nc3c(c2-c2ccc(F)c(F)c2)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one?
The InChIKey is CIPAZHFQUSECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2NO2/c1-17-8-10-19(11-9-17)29(35)27-25(20-12-13-21(31)22(32)14-20)26-23(15-30(2,3)16-24(26)34)33-28(27)18-6-4-5-7-18/h8-14,18H,4-7,15-16H2,1-3H3.
What are the key properties of 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one?
2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one has a molecular weight of 473.56 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(3,4-difluorophenyl)-7,7-dimethyl-3-(4-methylbenzoyl)-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 20586675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).