3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide

C31H35N3O3 — CID 4665911

About 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide

3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 4665911) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 4665911
• Molecular Formula: C31H35N3O3
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.27
• IUPAC Name: 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide
• SMILES: Cc1ccc(-n2c(C(C)N(Cc3ccco3)C(=O)CCC3CCCC3)nc3ccccc3c2=O)cc1C
• InChI: InChI=1S/C31H35N3O3/c1-21-14-16-25(19-22(21)2)34-30(32-28-13-7-6-12-27(28)31(34)36)23(3)33(20-26-11-8-18-37-26)29(35)17-15-24-9-4-5-10-24/h6-8,11-14,16,18-19,23-24H,4-5,9-10,15,17,20H2,1-3H3
• InChIKey: YPWIZQBCMWDVED-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide (CID 4665911) is 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide is Cc1ccc(-n2c(C(C)N(Cc3ccco3)C(=O)CCC3CCCC3)nc3ccccc3c2=O)cc1C.

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

The InChIKey is YPWIZQBCMWDVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-21-14-16-25(19-22(21)2)34-30(32-28-13-7-6-12-27(28)31(34)36)23(3)33(20-26-11-8-18-37-26)29(35)17-15-24-9-4-5-10-24/h6-8,11-14,16,18-19,23-24H,4-5,9-10,15,17,20H2,1-3H3.

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

3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 497.64 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 4665911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).