4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

C28H21BrClN3O3 — CID 4014746

About 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 4014746) has the molecular formula C28H21BrClN3O3 and a molecular weight of 562.85 g/mol. Its IUPAC name is 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 4014746
• Molecular Formula: C28H21BrClN3O3
• Molecular Weight: 562.85 g/mol
• Exact Mass: 561.05
• IUPAC Name: 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: CC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1ccc(Br)cc1
• InChI: InChI=1S/C28H21BrClN3O3/c1-18(32(17-23-5-4-16-36-23)27(34)19-8-10-20(29)11-9-19)26-31-25-7-3-2-6-24(25)28(35)33(26)22-14-12-21(30)13-15-22/h2-16,18H,17H2,1H3
• InChIKey: IHWJQUSRKXENEO-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.85
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (CID 4014746) is 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is CC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1ccc(Br)cc1.

What is the InChIKey of 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide?

The InChIKey is IHWJQUSRKXENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21BrClN3O3/c1-18(32(17-23-5-4-16-36-23)27(34)19-8-10-20(29)11-9-19)26-31-25-7-3-2-6-24(25)28(35)33(26)22-14-12-21(30)13-15-22/h2-16,18H,17H2,1H3.

What are the key properties of 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide?

4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 562.85 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4014746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).