2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid

C15H17NO3 — CID 176988746

IUPAC2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
SMILESCCC(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-3-9(4-2)10-5-6-11-7-12(15(18)19)14(17)16-13(11)8-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYGNMNPFNNHSOR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.13
Rot. Bonds4

About 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid

2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid (PubChem CID 176988746) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
PubChem CID176988746
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
SMILESCCC(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C15H17NO3/c1-3-9(4-2)10-5-6-11-7-12(15(18)19)14(17)16-13(11)8-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYGNMNPFNNHSOR-UHFFFAOYSA-N
XLogP3.13
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-7-pentan-3-yl-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

2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
2-hydroxy-4-pentan-3-ylbenzoic acid
CID 126760292
6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 18847882
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
7-carbamimidoyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988875
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
7-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 54078426
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988643

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid (CID 176988746) is 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid is CCC(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is CYGNMNPFNNHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-9(4-2)10-5-6-11-7-12(15(18)19)14(17)16-13(11)8-10/h5-9H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid?
2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 176988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).