4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid

C11H9NO3 — CID 72730371

IUPAC4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid
SMILESCC1=CC(=O)N=C2C=C(C(=O)O)C=CC12
InChIInChI=1S/C11H9NO3/c1-6-4-10(13)12-9-5-7(11(14)15)2-3-8(6)9/h2-5,8H,1H3,(H,14,15)
InChIKeyBIJXTLCMYYXJQN-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.11
Rot. Bonds1

About 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid

4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid (PubChem CID 72730371) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid
PubChem CID72730371
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid
SMILESCC1=CC(=O)N=C2C=C(C(=O)O)C=CC12
InChIInChI=1S/C11H9NO3/c1-6-4-10(13)12-9-5-7(11(14)15)2-3-8(6)9/h2-5,8H,1H3,(H,14,15)
InChIKeyBIJXTLCMYYXJQN-UHFFFAOYSA-N
XLogP1.11
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-oxo-4aH-quinoline-7-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-oxo-6aH-phenanthridine-3-carboxylic acid
CID 118009871
5-Carboxyindole-2-one
CID 46739852
7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
(E)-3-(2-oxo-8H-quinolin-3-yl)prop-2-enoic acid
CID 88210007
2-(2-Oxoquinolin-3-ylidene)acetic acid
CID 141001940
(4Z)-3-methylimino-4-propylidenecyclohexa-1,5-diene-1-carboxylic acid
CID 144497137
(3Z)-4-methylimino-3-propylidenecyclohexa-1,5-diene-1-carboxylic acid
CID 144497201
2-oxo-3H-quinoline-7-carboxylic acid
CID 152026221
2-Oxoindole-6-carboxylic acid
CID 153930756
(Z)-but-2-enedioic acid;3H-quinolin-2-one
CID 162307464
(E)-4-cyclopropyl-2-ethenyl-4-methyliminobut-2-enoic acid
CID 168930529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid (CID 72730371) is 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid is CC1=CC(=O)N=C2C=C(C(=O)O)C=CC12.
What is the InChIKey of 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid?
The InChIKey is BIJXTLCMYYXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-4-10(13)12-9-5-7(11(14)15)2-3-8(6)9/h2-5,8H,1H3,(H,14,15).
What are the key properties of 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid?
4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid is sourced from PubChem (CID 72730371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).