2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

C22H17ClN2O3S — CID 1023195

IUPAC2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C22H17ClN2O3S/c1-27-13-7-8-19(28-2)17(11-13)25-22(26)15-12-18(20-9-10-21(23)29-20)24-16-6-4-3-5-14(15)16/h3-12H,1-2H3,(H,25,26)
InChIKeyYNELBEFJSRTEGH-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.89
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1023195) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1023195
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C22H17ClN2O3S/c1-27-13-7-8-19(28-2)17(11-13)25-22(26)15-12-18(20-9-10-21(23)29-20)24-16-6-4-3-5-14(15)16/h3-12H,1-2H3,(H,25,26)
InChIKeyYNELBEFJSRTEGH-UHFFFAOYSA-N
XLogP5.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 1023195) is 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is YNELBEFJSRTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-27-13-7-8-19(28-2)17(11-13)25-22(26)15-12-18(20-9-10-21(23)29-20)24-16-6-4-3-5-14(15)16/h3-12H,1-2H3,(H,25,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1023195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).