3-methylidene-2-oxoquinoline-6-carboxylic acid

C11H7NO3 — CID 76851285

IUPAC3-methylidene-2-oxoquinoline-6-carboxylic acid
SMILESC=C1C=c2cc(C(=O)O)ccc2=NC1=O
InChIInChI=1S/C11H7NO3/c1-6-4-8-5-7(11(14)15)2-3-9(8)12-10(6)13/h2-5H,1H2,(H,14,15)
InChIKeyHCWIVKPSGBXRJJ-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.12
Rot. Bonds1

About 3-methylidene-2-oxoquinoline-6-carboxylic acid

3-methylidene-2-oxoquinoline-6-carboxylic acid (PubChem CID 76851285) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-methylidene-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-methylidene-2-oxoquinoline-6-carboxylic acid
PubChem CID76851285
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name3-methylidene-2-oxoquinoline-6-carboxylic acid
SMILESC=C1C=c2cc(C(=O)O)ccc2=NC1=O
InChIInChI=1S/C11H7NO3/c1-6-4-8-5-7(11(14)15)2-3-9(8)12-10(6)13/h2-5H,1H2,(H,14,15)
InChIKeyHCWIVKPSGBXRJJ-UHFFFAOYSA-N
XLogP-0.12
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 118009871
5-Carboxyindole-2-one
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CID 73978563
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
CID 75998293
Quinoline-4-carboxylic acid, 2,3-dihydro-2-oxo-
CID 604972
2-Oxobenzimidazole-5-carboxylic acid
CID 1284950
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2H-quinoxalin-2-ide-6-carboxylic acid;yttrium
CID 57602985
3H-quinoxalin-3-ide-6-carboxylic acid;yttrium
CID 57603003
5H-carbazole-3-carboxylic acid
CID 87263105
2-Oxo-1-benzazepine-3,4-dicarboxylic acid
CID 87978179
(E)-3-(2-oxo-8H-quinolin-3-yl)prop-2-enoic acid
CID 88210007

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 3-methylidene-2-oxoquinoline-6-carboxylic acid (CID 76851285) is 3-methylidene-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 3-methylidene-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 3-methylidene-2-oxoquinoline-6-carboxylic acid is C=C1C=c2cc(C(=O)O)ccc2=NC1=O.
What is the InChIKey of 3-methylidene-2-oxoquinoline-6-carboxylic acid?
The InChIKey is HCWIVKPSGBXRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-6-4-8-5-7(11(14)15)2-3-9(8)12-10(6)13/h2-5H,1H2,(H,14,15).
What are the key properties of 3-methylidene-2-oxoquinoline-6-carboxylic acid?
3-methylidene-2-oxoquinoline-6-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 76851285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).