N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C22H18N2O3S — CID 1290231

IUPACN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C22H18N2O3S/c1-26-14-9-10-20(27-2)18(12-14)24-22(25)16-13-19(21-8-5-11-28-21)23-17-7-4-3-6-15(16)17/h3-13H,1-2H3,(H,24,25)
InChIKeyQJMYGPCGSQAEFI-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.23
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1290231) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1290231
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C22H18N2O3S/c1-26-14-9-10-20(27-2)18(12-14)24-22(25)16-13-19(21-8-5-11-28-21)23-17-7-4-3-6-15(16)17/h3-13H,1-2H3,(H,24,25)
InChIKeyQJMYGPCGSQAEFI-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 1290231) is N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is QJMYGPCGSQAEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-14-9-10-20(27-2)18(12-14)24-22(25)16-13-19(21-8-5-11-28-21)23-17-7-4-3-6-15(16)17/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1290231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).