3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide

C30H33N3O5 — CID 42727836

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

3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide (PubChem CID 42727836) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
• PubChem CID: 42727836
• Molecular Formula: C30H33N3O5
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.24
• IUPAC Name: 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCCOC)C(=O)c1cccc(OC)c1
• InChI: InChI=1S/C30H33N3O5/c1-5-27(32(18-9-19-36-2)29(34)21-10-8-11-24(20-21)38-4)28-31-26-13-7-6-12-25(26)30(35)33(28)22-14-16-23(37-3)17-15-22/h6-8,10-17,20,27H,5,9,18-19H2,1-4H3
• InChIKey: HMJYFKKQHGLUAH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 82.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide (CID 42727836) is 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide.

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

The canonical SMILES for 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCCOC)C(=O)c1cccc(OC)c1.

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

The InChIKey is HMJYFKKQHGLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-5-27(32(18-9-19-36-2)29(34)21-10-8-11-24(20-21)38-4)28-31-26-13-7-6-12-25(26)30(35)33(28)22-14-16-23(37-3)17-15-22/h6-8,10-17,20,27H,5,9,18-19H2,1-4H3.

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

3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 515.61 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 42727836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).