N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide

C32H46N4O2 — CID 4600532

About N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide

N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide (PubChem CID 4600532) has the molecular formula C32H46N4O2 and a molecular weight of 518.75 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
• PubChem CID: 4600532
• Molecular Formula: C32H46N4O2
• Molecular Weight: 518.75 g/mol
• Exact Mass: 518.36
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
• SMILES: CCCCCCCCCC(=O)N(CCN(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
• InChI: InChI=1S/C32H46N4O2/c1-6-8-9-10-11-12-13-21-30(37)35(23-22-34(4)5)29(7-2)31-33-28-20-15-14-19-27(28)32(38)36(31)26-18-16-17-25(3)24-26/h14-20,24,29H,6-13,21-23H2,1-5H3
• InChIKey: PHGWUCLEGJYZBR-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 58.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.75
LogP ≤ 5	6.68
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-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide (CID 4600532) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide is CCCCCCCCCC(=O)N(CCN(C)C)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide?

The InChIKey is PHGWUCLEGJYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O2/c1-6-8-9-10-11-12-13-21-30(37)35(23-22-34(4)5)29(7-2)31-33-28-20-15-14-19-27(28)32(38)36(31)26-18-16-17-25(3)24-26/h14-20,24,29H,6-13,21-23H2,1-5H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide?

N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide has a molecular weight of 518.75 g/mol, XLogP of 6.68, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide is sourced from PubChem (CID 4600532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).