2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

C10H9NO3 — CID 589850

IUPAC2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2ccccc2N1
InChIInChI=1S/C10H9NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14)
InChIKeyUFTLCDHPTBFVHE-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.20
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid

2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (PubChem CID 589850) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
PubChem CID589850
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
SMILESO=C1CC(C(=O)O)c2ccccc2N1
InChIInChI=1S/C10H9NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14)
InChIKeyUFTLCDHPTBFVHE-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3080590
2-Hydroxyquinoline-4-carboxylic acid
CID 85076
2-Anilinophenylacetic acid
CID 854057
3-{[(2-Isopropylphenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2887075
2-Benzyl-N-(4-fluoro-phenyl)-succinamic acid
CID 3133541
N-Hydroxy-2-(2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetamide
CID 11264473
2-(2,3-Dioxo-1,4-dihydroquinoxalin-5-yl)acetic acid
CID 44268169
4-Anilino-2-benzyl-4-oxobutanoic acid
CID 4521468
2-(2-Acetamidophenyl)acetic acid
CID 14622178
4-Oxo-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid
CID 13051762
NTSR-H4 inhibitor, 3
CID 25741246
2-[(4-Ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856357

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid (CID 589850) is 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is O=C1CC(C(=O)O)c2ccccc2N1.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
The InChIKey is UFTLCDHPTBFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14).
What are the key properties of 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid?
2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 589850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).