methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate

C24H20N2O3S — CID 1009537

IUPACmethyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C24H20N2O3S/c1-14-8-9-16(15(2)12-14)21-13-18(17-6-4-5-7-19(17)25-21)23(27)26-20-10-11-30-22(20)24(28)29-3/h4-13H,1-3H3,(H,26,27)
InChIKeyLSRZHTPOMOYZMA-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.62
Rot. Bonds4

About methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 1009537) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
PubChem CID1009537
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Namemethyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C24H20N2O3S/c1-14-8-9-16(15(2)12-14)21-13-18(17-6-4-5-7-19(17)25-21)23(27)26-20-10-11-30-22(20)24(28)29-3/h4-13H,1-3H3,(H,26,27)
InChIKeyLSRZHTPOMOYZMA-UHFFFAOYSA-N
XLogP5.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate 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

Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
Ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
CID 1009130
Methyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
CID 1009439
3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 1220098
Methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate
CID 2168192
Methyl 4-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]thiophene-3-carboxylate;dihydrochloride
CID 69442708
N-(2,4-dimethylphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 998563
Methyl 3-({[2-(4-methylphenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 1008732
Methyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 1219756
Ethyl 4-cyano-3-methyl-5-({[2-(2-methylphenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 1222047
N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-(2,5-dimethylphenyl)-4-quinolinecarboxamide
CID 1257041
Isopropyl 4-cyano-3-methyl-5-({[2-(2-methylphenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 1740950

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (CID 1009537) is methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12.
What is the InChIKey of methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is LSRZHTPOMOYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-14-8-9-16(15(2)12-14)21-13-18(17-6-4-5-7-19(17)25-21)23(27)26-20-10-11-30-22(20)24(28)29-3/h4-13H,1-3H3,(H,26,27).
What are the key properties of methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 416.50 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 1009537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).