N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C23H22N4O2S — CID 108725415

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 108725415) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
• PubChem CID: 108725415
• Molecular Formula: C23H22N4O2S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.15
• IUPAC Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)CCc3nc4ccccc4[nH]c3=O)cc2)cs1
• InChI: InChI=1S/C23H22N4O2S/c1-15-25-21(14-30-15)17-8-6-16(7-9-17)12-13-24-22(28)11-10-20-23(29)27-19-5-3-2-4-18(19)26-20/h2-9,14H,10-13H2,1H3,(H,24,28)(H,27,29)
• InChIKey: YJDLOGXHBDLOGV-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?

The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 108725415) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?

The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1nc(-c2ccc(CCNC(=O)CCc3nc4ccccc4[nH]c3=O)cc2)cs1.

What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?

The InChIKey is YJDLOGXHBDLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-25-21(14-30-15)17-8-6-16(7-9-17)12-13-24-22(28)11-10-20-23(29)27-19-5-3-2-4-18(19)26-20/h2-9,14H,10-13H2,1H3,(H,24,28)(H,27,29).

What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 108725415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).