N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

C27H20BrN3OS — CID 5151402

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 5151402) has the molecular formula C27H20BrN3OS and a molecular weight of 514.45 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
• PubChem CID: 5151402
• Molecular Formula: C27H20BrN3OS
• Molecular Weight: 514.45 g/mol
• Exact Mass: 513.05
• IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c3ccccc3n2)cc1C
• InChI: InChI=1S/C27H20BrN3OS/c1-16-7-8-19(13-17(16)2)24-14-22(21-5-3-4-6-23(21)29-24)26(32)31-27-30-25(15-33-27)18-9-11-20(28)12-10-18/h3-15H,1-2H3,(H,30,31,32)
• InChIKey: FGBSAHSOJZSKJG-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.45
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?

The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (CID 5151402) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?

The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c3ccccc3n2)cc1C.

What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?

The InChIKey is FGBSAHSOJZSKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BrN3OS/c1-16-7-8-19(13-17(16)2)24-14-22(21-5-3-4-6-23(21)29-24)26(32)31-27-30-25(15-33-27)18-9-11-20(28)12-10-18/h3-15H,1-2H3,(H,30,31,32).

What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 514.45 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5151402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).