8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid

C16H18FNO3 — CID 176988643

IUPAC8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F
InChIInChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFVRBBUMTUSFPCS-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.44
Rot. Bonds4

About 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid

8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 176988643) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID176988643
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F
InChIInChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFVRBBUMTUSFPCS-UHFFFAOYSA-N
XLogP3.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
7-(3-aminopyrrolidin-1-yl)-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 67805444
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
CID 176988746
5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid (CID 176988643) is 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid is CCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F.
What is the InChIKey of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FVRBBUMTUSFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 176988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).