3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid

C13H11NO3 — CID 13445599

IUPAC3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESC=Cc1c(C(=O)O)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C13H11NO3/c1-3-8-11(13(16)17)9-6-7(2)4-5-10(9)14-12(8)15/h3-6H,1H2,2H3,(H,14,15)(H,16,17)
InChIKeyPKYXISVCFSBEAO-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.18
Rot. Bonds2

About 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid

3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 13445599) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID13445599
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESC=Cc1c(C(=O)O)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C13H11NO3/c1-3-8-11(13(16)17)9-6-7(2)4-5-10(9)14-12(8)15/h3-6H,1H2,2H3,(H,14,15)(H,16,17)
InChIKeyPKYXISVCFSBEAO-UHFFFAOYSA-N
XLogP2.18
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-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-methyl-3-(4-methylanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 102480399
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84631846
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84641540
2,7-dimethyl-10H-acridin-9-one
CID 13293445
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462487
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136774436
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
3,6-dimethyl-9H-carbazole
CID 144942624
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
methyl 2-amino-5-methyl-1H-indole-3-carboxylate
CID 112695143

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid (CID 13445599) is 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid is C=Cc1c(C(=O)O)c2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is PKYXISVCFSBEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-3-8-11(13(16)17)9-6-7(2)4-5-10(9)14-12(8)15/h3-6H,1H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid?
3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 13445599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).