3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

C23H19ClFN3O4 — CID 46247564

About 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 46247564) has the molecular formula C23H19ClFN3O4 and a molecular weight of 455.87 g/mol. Its IUPAC name is 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 46247564
• Molecular Formula: C23H19ClFN3O4
• Molecular Weight: 455.87 g/mol
• Exact Mass: 455.10
• IUPAC Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
• SMILES: O=C(CCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccco1
• InChI: InChI=1S/C23H19ClFN3O4/c24-19-12-16(25)8-7-15(19)14-28-20-6-2-1-5-18(20)22(30)27(23(28)31)10-9-21(29)26-13-17-4-3-11-32-17/h1-8,11-12H,9-10,13-14H2,(H,26,29)
• InChIKey: JCFPZUZDKXTVEY-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 86.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.87
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 46247564) is 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccco1.

What is the InChIKey of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is JCFPZUZDKXTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4/c24-19-12-16(25)8-7-15(19)14-28-20-6-2-1-5-18(20)22(30)27(23(28)31)10-9-21(29)26-13-17-4-3-11-32-17/h1-8,11-12H,9-10,13-14H2,(H,26,29).

What are the key properties of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?

3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 455.87 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46247564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).