2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid

C16H18FNO3 — CID 82250902

IUPAC2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCCCn1c(C)c(CC(=O)O)c(=O)c2cccc(F)c21
InChIInChI=1S/C16H18FNO3/c1-3-4-8-18-10(2)12(9-14(19)20)16(21)11-6-5-7-13(17)15(11)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIWGRPMUEADTJIF-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.88
Rot. Bonds5

About 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid

2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82250902) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82250902
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCCCn1c(C)c(CC(=O)O)c(=O)c2cccc(F)c21
InChIInChI=1S/C16H18FNO3/c1-3-4-8-18-10(2)12(9-14(19)20)16(21)11-6-5-7-13(17)15(11)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIWGRPMUEADTJIF-UHFFFAOYSA-N
XLogP2.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248609
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
1-(3-aminopropyl)-3-butyl-2-methylindole-7-carboxylic acid
CID 83963670
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
CID 82251876
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
CID 83963664
3-(1-cyclopropyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82250422
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82251467

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid (CID 82250902) is 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid is CCCCn1c(C)c(CC(=O)O)c(=O)c2cccc(F)c21.
What is the InChIKey of 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is IWGRPMUEADTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-4-8-18-10(2)12(9-14(19)20)16(21)11-6-5-7-13(17)15(11)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid?
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 291.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82250902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).