2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid

C16H16FNO3 — CID 82250433

IUPAC2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)c2ccc(F)cc2n1C1CCCC1
InChIInChI=1S/C16H16FNO3/c17-10-5-6-13-14(7-10)18(11-3-1-2-4-11)12(8-15(13)19)9-16(20)21/h5-8,11H,1-4,9H2,(H,20,21)
InChIKeyHKFFHOHKXHFKID-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.88
Rot. Bonds3

About 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid

2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82250433) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
PubChem CID82250433
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)c2ccc(F)cc2n1C1CCCC1
InChIInChI=1S/C16H16FNO3/c17-10-5-6-13-14(7-10)18(11-3-1-2-4-11)12(8-15(13)19)9-16(20)21/h5-8,11H,1-4,9H2,(H,20,21)
InChIKeyHKFFHOHKXHFKID-UHFFFAOYSA-N
XLogP2.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796
2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82246114
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250430
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852450
2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82248619
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82250952
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid
CID 167902779
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid (CID 82250433) is 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid is O=C(O)Cc1cc(=O)c2ccc(F)cc2n1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is HKFFHOHKXHFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-10-5-6-13-14(7-10)18(11-3-1-2-4-11)12(8-15(13)19)9-16(20)21/h5-8,11H,1-4,9H2,(H,20,21).
What are the key properties of 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid?
2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 289.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82250433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).