N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide

C26H30ClN3O2 — CID 42717743

About N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide

N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide (PubChem CID 42717743) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide
• PubChem CID: 42717743
• Molecular Formula: C26H30ClN3O2
• Molecular Weight: 452.00 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide
• SMILES: Cc1cc(Cl)ccc1-n1c(C(C)N(C)C(=O)CCC2CCCC2)nc2ccccc2c1=O
• InChI: InChI=1S/C26H30ClN3O2/c1-17-16-20(27)13-14-23(17)30-25(28-22-11-7-6-10-21(22)26(30)32)18(2)29(3)24(31)15-12-19-8-4-5-9-19/h6-7,10-11,13-14,16,18-19H,4-5,8-9,12,15H2,1-3H3
• InChIKey: VPNCYBVZCYEAPN-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.00
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide (CID 42717743) is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide.

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

The canonical SMILES for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide is Cc1cc(Cl)ccc1-n1c(C(C)N(C)C(=O)CCC2CCCC2)nc2ccccc2c1=O.

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

The InChIKey is VPNCYBVZCYEAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-17-16-20(27)13-14-23(17)30-25(28-22-11-7-6-10-21(22)26(30)32)18(2)29(3)24(31)15-12-19-8-4-5-9-19/h6-7,10-11,13-14,16,18-19H,4-5,8-9,12,15H2,1-3H3.

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

N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide has a molecular weight of 452.00 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 42717743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).