N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide

C24H29N3O4 — CID 135820936

About N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide (PubChem CID 135820936) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide.

Molecular Properties

• Compound Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
• PubChem CID: 135820936
• Molecular Formula: C24H29N3O4
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.22
• IUPAC Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
• SMILES: CCc1ccc(CCC(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1
• InChI: InChI=1S/C24H29N3O4/c1-5-16-7-9-17(10-8-16)11-12-23(28)27(6-2)15-22-25-19-14-21(31-4)20(30-3)13-18(19)24(29)26-22/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,26,29)
• InChIKey: UNBCNVGIPYTHIG-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 84.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide?

The IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide (CID 135820936) is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide.

What is the SMILES notation for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide?

The canonical SMILES for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1.

What is the InChIKey of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide?

The InChIKey is UNBCNVGIPYTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-16-7-9-17(10-8-16)11-12-23(28)27(6-2)15-22-25-19-14-21(31-4)20(30-3)13-18(19)24(29)26-22/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,26,29).

What are the key properties of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide?

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide has a molecular weight of 423.51 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 135820936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).