N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C22H18N2OS — CID 998563

IUPACN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H18N2OS/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyDEPDQYJKDUYJEY-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.83
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 998563) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID998563
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H18N2OS/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25)
InChIKeyDEPDQYJKDUYJEY-UHFFFAOYSA-N
XLogP5.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 998563) is N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DEPDQYJKDUYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-14-9-10-18(15(2)12-14)24-22(25)17-13-20(21-8-5-11-26-21)23-19-7-4-3-6-16(17)19/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 998563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).