3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C28H23N3OS — CID 4292288

About 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4292288) has the molecular formula C28H23N3OS and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 4292288
• Molecular Formula: C28H23N3OS
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.16
• IUPAC Name: 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c2C)cc1
• InChI: InChI=1S/C28H23N3OS/c1-17-13-15-21(16-14-17)25-18(2)24(22-11-7-8-12-23(22)29-25)27(32)31-28-30-26(19(3)33-28)20-9-5-4-6-10-20/h4-16H,1-3H3,(H,30,31,32)
• InChIKey: XJMNMNRUNJPPKW-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 4292288) is 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c2C)cc1.

What is the InChIKey of 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The InChIKey is XJMNMNRUNJPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3OS/c1-17-13-15-21(16-14-17)25-18(2)24(22-11-7-8-12-23(22)29-25)27(32)31-28-30-26(19(3)33-28)20-9-5-4-6-10-20/h4-16H,1-3H3,(H,30,31,32).

What are the key properties of 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4292288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).