N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide

C25H23ClFN3O3 — CID 137286519

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide (PubChem CID 137286519) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide.

Molecular Properties

• Compound Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide
• PubChem CID: 137286519
• Molecular Formula: C25H23ClFN3O3
• Molecular Weight: 467.93 g/mol
• Exact Mass: 467.14
• IUPAC Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide
• SMILES: CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2F)o1
• InChI: InChI=1S/C25H23ClFN3O3/c1-2-13-30(15-23-28-21-14-16(26)7-10-19(21)25(32)29-23)24(31)12-9-17-8-11-22(33-17)18-5-3-4-6-20(18)27/h3-8,10-11,14H,2,9,12-13,15H2,1H3,(H,28,29,32)
• InChIKey: WQSGVUQBAKYKGS-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.93
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide?

The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide (CID 137286519) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide.

What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide?

The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2F)o1.

What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide?

The InChIKey is WQSGVUQBAKYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-2-13-30(15-23-28-21-14-16(26)7-10-19(21)25(32)29-23)24(31)12-9-17-8-11-22(33-17)18-5-3-4-6-20(18)27/h3-8,10-11,14H,2,9,12-13,15H2,1H3,(H,28,29,32).

What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide?

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide has a molecular weight of 467.93 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropanamide is sourced from PubChem (CID 137286519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).