6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid

C11H10N2O3 — CID 151454660

IUPAC6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCNc1ccc2[nH]c(=O)c(C(=O)O)cc2c1
InChIInChI=1S/C11H10N2O3/c1-12-7-2-3-9-6(4-7)5-8(11(15)16)10(14)13-9/h2-5,12H,1H3,(H,13,14)(H,15,16)
InChIKeyPHESVIZEMVUJHI-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.27
Rot. Bonds2

About 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid

6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 151454660) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID151454660
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCNc1ccc2[nH]c(=O)c(C(=O)O)cc2c1
InChIInChI=1S/C11H10N2O3/c1-12-7-2-3-9-6(4-7)5-8(11(15)16)10(14)13-9/h2-5,12H,1H3,(H,13,14)(H,15,16)
InChIKeyPHESVIZEMVUJHI-UHFFFAOYSA-N
XLogP1.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(methylamino)-2-oxo-1H-quinoline-3-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

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid (CID 151454660) is 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid is CNc1ccc2[nH]c(=O)c(C(=O)O)cc2c1.
What is the InChIKey of 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is PHESVIZEMVUJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-12-7-2-3-9-6(4-7)5-8(11(15)16)10(14)13-9/h2-5,12H,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid?
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 151454660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).