6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H16FNO2 — CID 43457549

IUPAC6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCC3)c(F)cc2N1
InChIInChI=1S/C15H16FNO2/c16-12-8-13-10(5-6-14(18)17-13)7-11(12)15(19)9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18)
InChIKeyUZNPVZDALXGWDF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.08
Rot. Bonds2

About 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457549) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457549
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCC3)c(F)cc2N1
InChIInChI=1S/C15H16FNO2/c16-12-8-13-10(5-6-14(18)17-13)7-11(12)15(19)9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18)
InChIKeyUZNPVZDALXGWDF-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
(3R)-1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 99718262
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110003451
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532947
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
7-fluoro-6-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 136515924
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43457549) is 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)C3CCCC3)c(F)cc2N1.
What is the InChIKey of 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UZNPVZDALXGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-8-13-10(5-6-14(18)17-13)7-11(12)15(19)9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18).
What are the key properties of 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).