7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide

C22H18FN3OS — CID 24567233

About 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide

7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide (PubChem CID 24567233) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
• PubChem CID: 24567233
• Molecular Formula: C22H18FN3OS
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.12
• IUPAC Name: 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)c3cc4ccc(F)cc4nc3C)s2)cc1
• InChI: InChI=1S/C22H18FN3OS/c1-13-3-5-15(6-4-13)9-18-12-24-22(28-18)26-21(27)19-10-16-7-8-17(23)11-20(16)25-14(19)2/h3-8,10-12H,9H2,1-2H3,(H,24,26,27)
• InChIKey: BMRYJKJQQVOOLY-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The IUPAC name of 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide (CID 24567233) is 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide.

What is the SMILES notation for 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The canonical SMILES for 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide is Cc1ccc(Cc2cnc(NC(=O)c3cc4ccc(F)cc4nc3C)s2)cc1.

What is the InChIKey of 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The InChIKey is BMRYJKJQQVOOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-13-3-5-15(6-4-13)9-18-12-24-22(28-18)26-21(27)19-10-16-7-8-17(23)11-20(16)25-14(19)2/h3-8,10-12H,9H2,1-2H3,(H,24,26,27).

What are the key properties of 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 24567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).