2-oxo-8H-quinoline-3-carboxylic acid

C10H7NO3 — CID 158584931

IUPAC2-oxo-8H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=CC2=CC=CCC2=NC1=O
InChIInChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-3,5H,4H2,(H,13,14)
InChIKeyYDZJKNMHDYMHFC-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.86
Rot. Bonds1

About 2-oxo-8H-quinoline-3-carboxylic acid

2-oxo-8H-quinoline-3-carboxylic acid (PubChem CID 158584931) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxo-8H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-8H-quinoline-3-carboxylic acid
PubChem CID158584931
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-oxo-8H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=CC2=CC=CCC2=NC1=O
InChIInChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-3,5H,4H2,(H,13,14)
InChIKeyYDZJKNMHDYMHFC-UHFFFAOYSA-N
XLogP0.86
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

7H-indol-2-ol
CID 67864969
7H-indazole-3-carboxylic acid
CID 170434089
4-hydroxy-8H-quinolin-2-one
CID 91844576
acetic acid;6-ethylidenecyclohexa-1,3-diene-1-carboxylic acid
CID 67725909
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 174365369
2-[(E)-[(2E)-2-(2-oxo-7H-indol-3-ylidene)-7H-indol-3-ylidene]amino]oxyacetic acid
CID 162460426
2-[(E)-[(2Z)-2-(2-oxo-7H-indol-3-ylidene)-7H-indol-3-ylidene]amino]oxyacetic acid
CID 11840955
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
2-oxo-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)acetic acid
CID 87743018
2,7-dihydroindazol-3-one
CID 68805202
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
CID 91339514
4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one
CID 175447630

Frequently Asked Questions

What is the IUPAC name of 2-oxo-8H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-8H-quinoline-3-carboxylic acid (CID 158584931) is 2-oxo-8H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-8H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-8H-quinoline-3-carboxylic acid is O=C(O)C1=CC2=CC=CCC2=NC1=O.
What is the InChIKey of 2-oxo-8H-quinoline-3-carboxylic acid?
The InChIKey is YDZJKNMHDYMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-3,5H,4H2,(H,13,14).
What are the key properties of 2-oxo-8H-quinoline-3-carboxylic acid?
2-oxo-8H-quinoline-3-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8H-quinoline-3-carboxylic acid is sourced from PubChem (CID 158584931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).