3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide

C30H39N3O4 — CID 42728572

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

3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide (PubChem CID 42728572) has the molecular formula C30H39N3O4 and a molecular weight of 505.66 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide
• PubChem CID: 42728572
• Molecular Formula: C30H39N3O4
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.29
• IUPAC Name: 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCCOC)C(=O)CCC1CCCC1
• InChI: InChI=1S/C30H39N3O4/c1-4-25(32(20-11-21-36-2)28(34)19-18-22-12-5-6-13-22)29-31-24-15-8-7-14-23(24)30(35)33(29)26-16-9-10-17-27(26)37-3/h7-10,14-17,22,25H,4-6,11-13,18-21H2,1-3H3
• InChIKey: UJPCENFNDBUSBX-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	5.68
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 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide?

The IUPAC name of 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide (CID 42728572) is 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCCOC)C(=O)CCC1CCCC1.

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

The InChIKey is UJPCENFNDBUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O4/c1-4-25(32(20-11-21-36-2)28(34)19-18-22-12-5-6-13-22)29-31-24-15-8-7-14-23(24)30(35)33(29)26-16-9-10-17-27(26)37-3/h7-10,14-17,22,25H,4-6,11-13,18-21H2,1-3H3.

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

3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide has a molecular weight of 505.66 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 42728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).