3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide

C28H35N3O2 — CID 42720557

About 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide

3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide (PubChem CID 42720557) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide
• PubChem CID: 42720557
• Molecular Formula: C28H35N3O2
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.27
• IUPAC Name: 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide
• SMILES: CCN(C(=O)CCC1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
• InChI: InChI=1S/C28H35N3O2/c1-5-30(26(32)17-16-22-10-6-7-11-22)21(4)27-29-24-13-9-8-12-23(24)28(33)31(27)25-18-19(2)14-15-20(25)3/h8-9,12-15,18,21-22H,5-7,10-11,16-17H2,1-4H3
• InChIKey: ZBYGGQDCYAVLMN-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide?

The IUPAC name of 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide (CID 42720557) is 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide.

What is the SMILES notation for 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide?

The canonical SMILES for 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide is CCN(C(=O)CCC1CCCC1)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C.

What is the InChIKey of 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide?

The InChIKey is ZBYGGQDCYAVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-5-30(26(32)17-16-22-10-6-7-11-22)21(4)27-29-24-13-9-8-12-23(24)28(33)31(27)25-18-19(2)14-15-20(25)3/h8-9,12-15,18,21-22H,5-7,10-11,16-17H2,1-4H3.

What are the key properties of 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide?

3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide has a molecular weight of 445.61 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide is sourced from PubChem (CID 42720557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).