[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid

C13H12N2O4 — CID 90036836

IUPAC[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCc1ccc2[nH]c(=O)c(C(=O)CNC(=O)O)cc2c1
InChIInChI=1S/C13H12N2O4/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)11(16)6-14-13(18)19/h2-5,14H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyPNNQAJLRHRWKPD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.29
Rot. Bonds3

About [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid

[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid (PubChem CID 90036836) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid
PubChem CID90036836
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid
SMILESCc1ccc2[nH]c(=O)c(C(=O)CNC(=O)O)cc2c1
InChIInChI=1S/C13H12N2O4/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)11(16)6-14-13(18)19/h2-5,14H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyPNNQAJLRHRWKPD-UHFFFAOYSA-N
XLogP1.29
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic 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

3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 2023817

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid (CID 90036836) is [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid is Cc1ccc2[nH]c(=O)c(C(=O)CNC(=O)O)cc2c1.
What is the InChIKey of [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid?
The InChIKey is PNNQAJLRHRWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-2-3-10-8(4-7)5-9(12(17)15-10)11(16)6-14-13(18)19/h2-5,14H,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid?
[2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid has a molecular weight of 260.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2-oxo-1H-quinolin-3-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 90036836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).