2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid

C15H16FNO3 — CID 82248619

IUPAC2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESCCCCn1c(CC(=O)O)cc(=O)c2cc(F)ccc21
InChIInChI=1S/C15H16FNO3/c1-2-3-6-17-11(9-15(19)20)8-14(18)12-7-10(16)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyLECWIZHFYBBKIA-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.57
Rot. Bonds5

About 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid

2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82248619) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
PubChem CID82248619
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESCCCCn1c(CC(=O)O)cc(=O)c2cc(F)ccc21
InChIInChI=1S/C15H16FNO3/c1-2-3-6-17-11(9-15(19)20)8-14(18)12-7-10(16)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyLECWIZHFYBBKIA-UHFFFAOYSA-N
XLogP2.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
2-(2-ethoxycarbonyl-1-ethyl-5-fluoroindol-3-yl)acetic acid
CID 18780521
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343
6-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxylic acid
CID 54728575
2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
CID 82248592
2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82250433
2-(6,7,8-trifluoro-1-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82247538
3-(5-fluoro-1-hexadecyl-2-hydroxyindol-3-yl)-6-(1-hexadecyl-2-hydroxyindol-3-yl)pyrazine-2,5-dione
CID 136952103
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid (CID 82248619) is 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid is CCCCn1c(CC(=O)O)cc(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is LECWIZHFYBBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-3-6-17-11(9-15(19)20)8-14(18)12-7-10(16)4-5-13(12)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,19,20).
What are the key properties of 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid?
2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 277.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).