methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate

C23H17ClN2O3S — CID 2221006

IUPACmethyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN2O3S/c1-13-19(22(27)26-18-10-11-30-21(18)23(28)29-2)16-12-15(24)8-9-17(16)25-20(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,27)
InChIKeyDCZSQWVLVKNDRW-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.96
Rot. Bonds4

About methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 2221006) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID2221006
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Namemethyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN2O3S/c1-13-19(22(27)26-18-10-11-30-21(18)23(28)29-2)16-12-15(24)8-9-17(16)25-20(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,27)
InChIKeyDCZSQWVLVKNDRW-UHFFFAOYSA-N
XLogP5.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-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

2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
[2-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-5-chlorophenyl] pentanoate
CID 175016679
methyl 4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4536194
methyl 4-(4-chlorophenyl)-2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4607107
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(4-chlorophenyl)benzoic acid
CID 176682519
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate (CID 2221006) is methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is DCZSQWVLVKNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c1-13-19(22(27)26-18-10-11-30-21(18)23(28)29-2)16-12-15(24)8-9-17(16)25-20(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,26,27).
What are the key properties of methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 436.92 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2221006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).