2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C30H26FN3O4 — CID 42719281

About 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42719281) has the molecular formula C30H26FN3O4 and a molecular weight of 511.55 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• PubChem CID: 42719281
• Molecular Formula: C30H26FN3O4
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.19
• IUPAC Name: 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1ccccc1F
• InChI: InChI=1S/C30H26FN3O4/c1-3-27(33(19-22-9-8-18-38-22)29(35)23-10-4-6-12-25(23)31)28-32-26-13-7-5-11-24(26)30(36)34(28)20-14-16-21(37-2)17-15-20/h4-18,27H,3,19H2,1-2H3
• InChIKey: NWEKPSHSQBIVLT-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42719281) is 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

The InChIKey is NWEKPSHSQBIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O4/c1-3-27(33(19-22-9-8-18-38-22)29(35)23-10-4-6-12-25(23)31)28-32-26-13-7-5-11-24(26)30(36)34(28)20-14-16-21(37-2)17-15-20/h4-18,27H,3,19H2,1-2H3.

What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?

2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 511.55 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42719281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).