N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C28H26N4O4 — CID 135738202

About N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135738202) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135738202
• Molecular Formula: C28H26N4O4
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.20
• IUPAC Name: N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: CC1Oc2ccccc2N(CCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1=O
• InChI: InChI=1S/C28H26N4O4/c1-19-28(35)32(23-13-7-8-14-24(23)36-19)16-15-26(33)31(17-20-9-3-2-4-10-20)18-25-29-22-12-6-5-11-21(22)27(34)30-25/h2-14,19H,15-18H2,1H3,(H,29,30,34)
• InChIKey: RSKOUEJFEZBERY-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135738202) is N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CC1Oc2ccccc2N(CCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1=O.

What is the InChIKey of N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is RSKOUEJFEZBERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-19-28(35)32(23-13-7-8-14-24(23)36-19)16-15-26(33)31(17-20-9-3-2-4-10-20)18-25-29-22-12-6-5-11-21(22)27(34)30-25/h2-14,19H,15-18H2,1H3,(H,29,30,34).

What are the key properties of N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 482.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135738202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).