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

C30H33N3O3 — CID 4641269

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

3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide (PubChem CID 4641269) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
• PubChem CID: 4641269
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
• SMILES: Cc1cccc(-n2c(C(C)N(Cc3ccco3)C(=O)CCC3CCCC3)nc3ccccc3c2=O)c1
• InChI: InChI=1S/C30H33N3O3/c1-21-9-7-12-24(19-21)33-29(31-27-15-6-5-14-26(27)30(33)35)22(2)32(20-25-13-8-18-36-25)28(34)17-16-23-10-3-4-11-23/h5-9,12-15,18-19,22-23H,3-4,10-11,16-17,20H2,1-2H3
• InChIKey: DXRFVGWGPKCNQV-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide (CID 4641269) is 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide is Cc1cccc(-n2c(C(C)N(Cc3ccco3)C(=O)CCC3CCCC3)nc3ccccc3c2=O)c1.

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

The InChIKey is DXRFVGWGPKCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-21-9-7-12-24(19-21)33-29(31-27-15-6-5-14-26(27)30(33)35)22(2)32(20-25-13-8-18-36-25)28(34)17-16-23-10-3-4-11-23/h5-9,12-15,18-19,22-23H,3-4,10-11,16-17,20H2,1-2H3.

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

3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide has a molecular weight of 483.61 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide is sourced from PubChem (CID 4641269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).