1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C15H14FNO3 — CID 82248137

IUPAC1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2ccc(F)cc2c1=O
InChIInChI=1S/C15H14FNO3/c16-9-5-6-13-11(7-9)14(18)12(15(19)20)8-17(13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,20)
InChIKeyNAGLITDMRGKHII-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.95
Rot. Bonds2

About 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 82248137) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID82248137
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2ccc(F)cc2c1=O
InChIInChI=1S/C15H14FNO3/c16-9-5-6-13-11(7-9)14(18)12(15(19)20)8-17(13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,20)
InChIKeyNAGLITDMRGKHII-UHFFFAOYSA-N
XLogP2.95
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
5-fluoro-1-[(3R)-oxolan-3-yl]indole-3-carboxylic acid
CID 154408135
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
CID 19081655
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopentyl-6-fluoro-7-(oxan-3-ylamino)-4-oxoquinoline-3-carboxylic acid
CID 118619689
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 82248137) is 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CCCC2)c2ccc(F)cc2c1=O.
What is the InChIKey of 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NAGLITDMRGKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-9-5-6-13-11(7-9)14(18)12(15(19)20)8-17(13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,20).
What are the key properties of 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82248137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).