methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate

C24H20N2O5S — CID 1261711

IUPACmethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H20N2O5S/c1-29-20-12-16(24(28)31-3)18(13-21(20)30-2)26-23(27)15-11-19(22-9-6-10-32-22)25-17-8-5-4-7-14(15)17/h4-13H,1-3H3,(H,26,27)
InChIKeyVXECDPTXJYBELT-UHFFFAOYSA-N
MW448.50 g/mol
LogP5.02
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate (PubChem CID 1261711) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
PubChem CID1261711
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Namemethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H20N2O5S/c1-29-20-12-16(24(28)31-3)18(13-21(20)30-2)26-23(27)15-11-19(22-9-6-10-32-22)25-17-8-5-4-7-14(15)17/h4-13H,1-3H3,(H,26,27)
InChIKeyVXECDPTXJYBELT-UHFFFAOYSA-N
XLogP5.02
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3309651
methyl 4-(4-methylphenyl)-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3576372
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate (CID 1261711) is methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is VXECDPTXJYBELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-29-20-12-16(24(28)31-3)18(13-21(20)30-2)26-23(27)15-11-19(22-9-6-10-32-22)25-17-8-5-4-7-14(15)17/h4-13H,1-3H3,(H,26,27).
What are the key properties of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 448.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 1261711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).