methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate

C24H20N2O3S — CID 1012487

IUPACmethyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12
InChIInChI=1S/C24H20N2O3S/c1-14-8-9-15(2)17(12-14)21-13-18(16-6-4-5-7-19(16)25-21)23(27)26-20-10-11-30-22(20)24(28)29-3/h4-13H,1-3H3,(H,26,27)
InChIKeyLDQLWXHEJBCABV-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.62
Rot. Bonds4

About methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 1012487) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
PubChem CID1012487
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Namemethyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12
InChIInChI=1S/C24H20N2O3S/c1-14-8-9-15(2)17(12-14)21-13-18(16-6-4-5-7-19(16)25-21)23(27)26-20-10-11-30-22(20)24(28)29-3/h4-13H,1-3H3,(H,26,27)
InChIKeyLDQLWXHEJBCABV-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

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3318872
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (CID 1012487) is methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12.
What is the InChIKey of methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is LDQLWXHEJBCABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-14-8-9-15(2)17(12-14)21-13-18(16-6-4-5-7-19(16)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-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(2,5-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-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 1012487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).