3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

C26H30N4O4 — CID 53129414

About 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129414) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• PubChem CID: 53129414
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.23
• IUPAC Name: 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• SMILES: Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c(CCC(=O)NCC(C)C)nc3ccccc31)CCO2
• InChI: InChI=1S/C26H30N4O4/c1-17(2)15-27-24(31)11-9-20-26(33)30(21-7-5-4-6-19(21)28-20)16-25(32)29-12-13-34-23-10-8-18(3)14-22(23)29/h4-8,10,14,17H,9,11-13,15-16H2,1-3H3,(H,27,31)
• InChIKey: HRXFIPOHBGCQKP-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The IUPAC name of 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129414) is 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c(CCC(=O)NCC(C)C)nc3ccccc31)CCO2.

What is the InChIKey of 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The InChIKey is HRXFIPOHBGCQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17(2)15-27-24(31)11-9-20-26(33)30(21-7-5-4-6-19(21)28-20)16-25(32)29-12-13-34-23-10-8-18(3)14-22(23)29/h4-8,10,14,17H,9,11-13,15-16H2,1-3H3,(H,27,31).

What are the key properties of 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 462.55 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).