methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate

C26H18N2O3S2 — CID 4154099

IUPACmethyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H18N2O3S2/c1-31-26(30)24-21(15-23(33-24)16-8-3-2-4-9-16)28-25(29)18-14-20(22-12-7-13-32-22)27-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,28,29)
InChIKeyAHQHLBIVNMSUNI-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.73
Rot. Bonds5

About methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate

methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 4154099) has the molecular formula C26H18N2O3S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID4154099
Molecular FormulaC26H18N2O3S2
Molecular Weight470.58 g/mol
Exact Mass470.08
IUPAC Namemethyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H18N2O3S2/c1-31-26(30)24-21(15-23(33-24)16-8-3-2-4-9-16)28-25(29)18-14-20(22-12-7-13-32-22)27-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,28,29)
InChIKeyAHQHLBIVNMSUNI-UHFFFAOYSA-N
XLogP6.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
methyl 4-(4-methylphenyl)-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3576372
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 7157916
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate (CID 4154099) is methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is AHQHLBIVNMSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3S2/c1-31-26(30)24-21(15-23(33-24)16-8-3-2-4-9-16)28-25(29)18-14-20(22-12-7-13-32-22)27-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,28,29).
What are the key properties of methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 470.58 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 4154099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).