N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H18BrN3O2S — CID 24627379

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 24627379) has the molecular formula C21H18BrN3O2S and a molecular weight of 456.37 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• PubChem CID: 24627379
• Molecular Formula: C21H18BrN3O2S
• Molecular Weight: 456.37 g/mol
• Exact Mass: 455.03
• IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• SMILES: O=C(CCC1Cc2ccccc2NC1=O)Nc1nc(-c2ccc(Br)cc2)cs1
• InChI: InChI=1S/C21H18BrN3O2S/c22-16-8-5-13(6-9-16)18-12-28-21(24-18)25-19(26)10-7-15-11-14-3-1-2-4-17(14)23-20(15)27/h1-6,8-9,12,15H,7,10-11H2,(H,23,27)(H,24,25,26)
• InChIKey: YMZWJEKTVBZNGI-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.37
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 24627379) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1nc(-c2ccc(Br)cc2)cs1.

What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The InChIKey is YMZWJEKTVBZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2S/c22-16-8-5-13(6-9-16)18-12-28-21(24-18)25-19(26)10-7-15-11-14-3-1-2-4-17(14)23-20(15)27/h1-6,8-9,12,15H,7,10-11H2,(H,23,27)(H,24,25,26).

What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 456.37 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 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]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 24627379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).