N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C22H19BrN4O2S — CID 24586415

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 24586415) has the molecular formula C22H19BrN4O2S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• PubChem CID: 24586415
• Molecular Formula: C22H19BrN4O2S
• Molecular Weight: 483.39 g/mol
• Exact Mass: 482.04
• IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• SMILES: CCn1c(=O)c(C)nc2cc(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)ccc21
• InChI: InChI=1S/C22H19BrN4O2S/c1-3-27-19-9-6-15(11-18(19)25-13(2)21(27)29)20(28)26-22-24-12-17(30-22)10-14-4-7-16(23)8-5-14/h4-9,11-12H,3,10H2,1-2H3,(H,24,26,28)
• InChIKey: LZQFCJFNDGGUIL-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.39
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 24586415) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)ccc21.

What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The InChIKey is LZQFCJFNDGGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2S/c1-3-27-19-9-6-15(11-18(19)25-13(2)21(27)29)20(28)26-22-24-12-17(30-22)10-14-4-7-16(23)8-5-14/h4-9,11-12H,3,10H2,1-2H3,(H,24,26,28).

What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 24586415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).