3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C23H20N2OS — CID 1011328

IUPAC3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1
InChIInChI=1S/C23H20N2OS/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyVONITRSXXQNDMH-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.51
Rot. Bonds4

About 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1011328) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1011328
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1
InChIInChI=1S/C23H20N2OS/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyVONITRSXXQNDMH-UHFFFAOYSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 1011328) is 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is VONITRSXXQNDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-15-9-11-17(12-10-15)22-16(2)21(19-7-3-4-8-20(19)25-22)23(26)24-14-18-6-5-13-27-18/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1011328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).