methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate

C23H17ClN2O3S — CID 2168192

IUPACmethyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C23H17ClN2O3S/c1-13-19(22(27)26-18-10-11-30-21(18)23(28)29-2)16-8-3-4-9-17(16)25-20(13)14-6-5-7-15(24)12-14/h3-12H,1-2H3,(H,26,27)
InChIKeyOOXMFILFFBUNHD-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.96
Rot. Bonds4

About methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 2168192) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate
PubChem CID2168192
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Namemethyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C23H17ClN2O3S/c1-13-19(22(27)26-18-10-11-30-21(18)23(28)29-2)16-8-3-4-9-17(16)25-20(13)14-6-5-7-15(24)12-14/h3-12H,1-2H3,(H,26,27)
InChIKeyOOXMFILFFBUNHD-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-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 1220098
Methyl 3-({[2-(4-methylphenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 1008732
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2091344
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
[2-[(2-Ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3998265
Methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-B]pyridin-2-YL}carbonyl)amino]benzoate
CID 5301777
[2-(2-chloroanilino)-2-oxoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15945238
(2-anilino-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15945244
Ethyl 3-{4-chloro-8-methylthieno[3,2-C]quinoline-2-amido}benzoate
CID 16009121
Methyl 3-(2-(quinolin-5-yl)acetamido)thiophene-2-carboxylate
CID 52949818
2-(4-Chlorophenyl)-2-oxoethyl 2-(thiophen-2-yl)quinoline-4-carboxylate
CID 1218254
Ethyl 3-[2-(5-chlorothiophen-2-YL)quinoline-4-amido]benzoate
CID 15989012

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate (CID 2168192) is methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is OOXMFILFFBUNHD-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)16-8-3-4-9-17(16)25-20(13)14-6-5-7-15(24)12-14/h3-12H,1-2H3,(H,26,27).
What are the key properties of methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(3-chlorophenyl)-3-methylquinoline-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-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 2168192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).