3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid

C19H16N2O4 — CID 2026277

IUPAC3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1c(C)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H16N2O4/c1-11-16(18(22)21-14-9-5-6-10-15(14)25-2)17(19(23)24)12-7-3-4-8-13(12)20-11/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyHIHSZFIQBRRKDN-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.50
Rot. Bonds4

About 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid

3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid (PubChem CID 2026277) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid
PubChem CID2026277
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid
SMILESCOc1ccccc1NC(=O)c1c(C)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H16N2O4/c1-11-16(18(22)21-14-9-5-6-10-15(14)25-2)17(19(23)24)12-7-3-4-8-13(12)20-11/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyHIHSZFIQBRRKDN-UHFFFAOYSA-N
XLogP3.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-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

N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
CID 899162
2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 947633
N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 1038223
N-(2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 2110253
[2-(2-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2343068
2-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 5735793
2-(3-Methoxyphenyl)quinoline-4-carboxylic acid
CID 673666
3-(3-(Ethoxycarbonyl)propionyl)-8-methoxy-4-((2-methylphenyl)amino)quinoline
CID 192494
N-(4-methoxyphenyl)-2-(2-methylpropyl)-4-quinolinecarboxamide
CID 856140
2-(3-methoxyphenyl)-N-phenylquinoline-4-carboxamide
CID 1009238

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid (CID 2026277) is 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid is COc1ccccc1NC(=O)c1c(C)nc2ccccc2c1C(=O)O.
What is the InChIKey of 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid?
The InChIKey is HIHSZFIQBRRKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-16(18(22)21-14-9-5-6-10-15(14)25-2)17(19(23)24)12-7-3-4-8-13(12)20-11/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid?
3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)carbamoyl]-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 2026277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).