N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide

C36H37N3O4 — CID 4695441

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide (PubChem CID 4695441) has the molecular formula C36H37N3O4 and a molecular weight of 575.71 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
• PubChem CID: 4695441
• Molecular Formula: C36H37N3O4
• Molecular Weight: 575.71 g/mol
• Exact Mass: 575.28
• IUPAC Name: N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCCOC)C(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H37N3O4/c1-4-30(34-37-29-21-12-11-20-28(29)35(40)39(34)31-22-13-14-23-32(31)43-3)38(24-15-25-42-2)36(41)33(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-14,16-23,30,33H,4,15,24-25H2,1-3H3
• InChIKey: KKKLLIGOBCTPTI-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.71
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide?

The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide (CID 4695441) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide.

What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide?

The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCCOC)C(=O)C(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide?

The InChIKey is KKKLLIGOBCTPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O4/c1-4-30(34-37-29-21-12-11-20-28(29)35(40)39(34)31-22-13-14-23-32(31)43-3)38(24-15-25-42-2)36(41)33(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-14,16-23,30,33H,4,15,24-25H2,1-3H3.

What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide?

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide has a molecular weight of 575.71 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide is sourced from PubChem (CID 4695441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).