N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide

C31H36N4O4 — CID 42719304

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

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide (PubChem CID 42719304) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
• PubChem CID: 42719304
• Molecular Formula: C31H36N4O4
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.27
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCN(C)C)C(=O)COCc1ccccc1
• InChI: InChI=1S/C31H36N4O4/c1-5-28(34(20-19-33(2)3)29(36)22-39-21-23-11-7-6-8-12-23)30-32-27-14-10-9-13-26(27)31(37)35(30)24-15-17-25(38-4)18-16-24/h6-18,28H,5,19-22H2,1-4H3
• InChIKey: MZBGMZOCENWCEL-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 76.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide (CID 42719304) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide.

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

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCN(C)C)C(=O)COCc1ccccc1.

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

The InChIKey is MZBGMZOCENWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-5-28(34(20-19-33(2)3)29(36)22-39-21-23-11-7-6-8-12-23)30-32-27-14-10-9-13-26(27)31(37)35(30)24-15-17-25(38-4)18-16-24/h6-18,28H,5,19-22H2,1-4H3.

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

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide has a molecular weight of 528.65 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 42719304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).