(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide

C29H30N4O3 — CID 92901982

About (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide

(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide (PubChem CID 92901982) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
• PubChem CID: 92901982
• Molecular Formula: C29H30N4O3
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.23
• IUPAC Name: (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
• SMILES: CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2cccc(C)c2C)c1=O
• InChI: InChI=1S/C29H30N4O3/c1-6-26(34)30-23-15-14-17(2)16-21(23)27-29(36)33(25-13-8-7-11-24(25)31-27)20(5)28(35)32-22-12-9-10-18(3)19(22)4/h7-16,20H,6H2,1-5H3,(H,30,34)(H,32,35)/t20-/m1/s1
• InChIKey: JXCLZFQDTJXWLE-HXUWFJFHSA-N
• XLogP: 5.54
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide?

The IUPAC name of (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide (CID 92901982) is (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide.

What is the SMILES notation for (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide?

The canonical SMILES for (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide is CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2cccc(C)c2C)c1=O.

What is the InChIKey of (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide?

The InChIKey is JXCLZFQDTJXWLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-6-26(34)30-23-15-14-17(2)16-21(23)27-29(36)33(25-13-8-7-11-24(25)31-27)20(5)28(35)32-22-12-9-10-18(3)19(22)4/h7-16,20H,6H2,1-5H3,(H,30,34)(H,32,35)/t20-/m1/s1.

What are the key properties of (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide?

(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide has a molecular weight of 482.58 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide is sourced from PubChem (CID 92901982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).