1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid

C16H16FNO3 — CID 82250430

IUPAC1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CCCC2)c2cc(F)ccc2c1=O
InChIInChI=1S/C16H16FNO3/c1-9-14(16(20)21)18(11-4-2-3-5-11)13-8-10(17)6-7-12(13)15(9)19/h6-8,11H,2-5H2,1H3,(H,20,21)
InChIKeyTURKBTDCEUAIOD-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.26
Rot. Bonds2

About 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid

1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82250430) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82250430
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CCCC2)c2cc(F)ccc2c1=O
InChIInChI=1S/C16H16FNO3/c1-9-14(16(20)21)18(11-4-2-3-5-11)13-8-10(17)6-7-12(13)15(9)19/h6-8,11H,2-5H2,1H3,(H,20,21)
InChIKeyTURKBTDCEUAIOD-UHFFFAOYSA-N
XLogP3.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82250433
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 115038140
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
(4-cyclopentyl-1,4-diazepan-1-yl)-(5-fluoro-1,3-dimethylindol-2-yl)methanone
CID 70719048
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82250951
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82519443
4-bromo-1-cyclopropyl-3-methylindole-2-carboxylic acid
CID 115053126
1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone
CID 115052933
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid (CID 82250430) is 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid is Cc1c(C(=O)O)n(C2CCCC2)c2cc(F)ccc2c1=O.
What is the InChIKey of 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is TURKBTDCEUAIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-9-14(16(20)21)18(11-4-2-3-5-11)13-8-10(17)6-7-12(13)15(9)19/h6-8,11H,2-5H2,1H3,(H,20,21).
What are the key properties of 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid?
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).