N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

C30H35N3O2S — CID 42722880

About N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 42722880) has the molecular formula C30H35N3O2S and a molecular weight of 501.70 g/mol. Its IUPAC name is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
• PubChem CID: 42722880
• Molecular Formula: C30H35N3O2S
• Molecular Weight: 501.70 g/mol
• Exact Mass: 501.24
• IUPAC Name: N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
• SMILES: CCc1ccc(-n2c(C(CC)N(CCC(C)C)C(=O)Cc3cccs3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C30H35N3O2S/c1-5-22-13-15-23(16-14-22)33-29(31-26-12-8-7-11-25(26)30(33)35)27(6-2)32(18-17-21(3)4)28(34)20-24-10-9-19-36-24/h7-16,19,21,27H,5-6,17-18,20H2,1-4H3
• InChIKey: NOLKLFCXJLMWNL-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.70
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The IUPAC name of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (CID 42722880) is N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide is CCc1ccc(-n2c(C(CC)N(CCC(C)C)C(=O)Cc3cccs3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

The InChIKey is NOLKLFCXJLMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2S/c1-5-22-13-15-23(16-14-22)33-29(31-26-12-8-7-11-25(26)30(33)35)27(6-2)32(18-17-21(3)4)28(34)20-24-10-9-19-36-24/h7-16,19,21,27H,5-6,17-18,20H2,1-4H3.

What are the key properties of N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 501.70 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42722880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).