N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C30H33N3O3 — CID 42727633

About N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42727633) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• PubChem CID: 42727633
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCCOC)C(=O)c1ccccc1C
• InChI: InChI=1S/C30H33N3O3/c1-5-27(32(19-10-20-36-4)29(34)24-12-7-6-11-22(24)3)28-31-26-14-9-8-13-25(26)30(35)33(28)23-17-15-21(2)16-18-23/h6-9,11-18,27H,5,10,19-20H2,1-4H3
• InChIKey: MVDFWJMBTCWZEA-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The IUPAC name of N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42727633) is N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The canonical SMILES for N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCCOC)C(=O)c1ccccc1C.

What is the InChIKey of N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The InChIKey is MVDFWJMBTCWZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-5-27(32(19-10-20-36-4)29(34)24-12-7-6-11-22(24)3)28-31-26-14-9-8-13-25(26)30(35)33(28)23-17-15-21(2)16-18-23/h6-9,11-18,27H,5,10,19-20H2,1-4H3.

What are the key properties of N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 483.61 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42727633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).