1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one

C16H15F2NO — CID 90799339

IUPAC1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one
SMILESCc1c(C(F)F)c2ccccc2n(C2=CCCC2)c1=O
InChIInChI=1S/C16H15F2NO/c1-10-14(15(17)18)12-8-4-5-9-13(12)19(16(10)20)11-6-2-3-7-11/h4-6,8-9,15H,2-3,7H2,1H3
InChIKeyFUYYTHPJKTYJTJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.27
Rot. Bonds2

About 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one

1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one (PubChem CID 90799339) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one
PubChem CID90799339
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one
SMILESCc1c(C(F)F)c2ccccc2n(C2=CCCC2)c1=O
InChIInChI=1S/C16H15F2NO/c1-10-14(15(17)18)12-8-4-5-9-13(12)19(16(10)20)11-6-2-3-7-11/h4-6,8-9,15H,2-3,7H2,1H3
InChIKeyFUYYTHPJKTYJTJ-UHFFFAOYSA-N
XLogP4.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR)-12-methyl-3,4,4a,5-tetrahydro-2H-indolo[2,1-a]isoquinolin-6-one
CID 139118617
3-(cyclohexen-1-yl)-1,2-dimethylindole
CID 15619846
1-(cyclopenten-1-yl)-3-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]methyl]benzimidazol-2-one
CID 176508340
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 163537418
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
CID 53440912
(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one
CID 162805266
5-phenyl-9,10-dihydrophenanthridin-6-one
CID 153394465
3-phenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-6,7-dihydroquinazolin-4-one
CID 121247469
4-[2-(azepan-1-yl)ethylamino]-3-nitro-1-phenylquinolin-2-one
CID 2919974
12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one
CID 135036149
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one?
The IUPAC name of 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one (CID 90799339) is 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one is Cc1c(C(F)F)c2ccccc2n(C2=CCCC2)c1=O.
What is the InChIKey of 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one?
The InChIKey is FUYYTHPJKTYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-10-14(15(17)18)12-8-4-5-9-13(12)19(16(10)20)11-6-2-3-7-11/h4-6,8-9,15H,2-3,7H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one?
1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one has a molecular weight of 275.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-4-(difluoromethyl)-3-methylquinolin-2-one is sourced from PubChem (CID 90799339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).