4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C30H26BrN3O4 — CID 3594369

About 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 3594369) has the molecular formula C30H26BrN3O4 and a molecular weight of 572.46 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
• PubChem CID: 3594369
• Molecular Formula: C30H26BrN3O4
• Molecular Weight: 572.46 g/mol
• Exact Mass: 571.11
• IUPAC Name: 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
• SMILES: COc1ccc(C)cc1-n1c(C(C)N(Cc2ccco2)C(=O)c2ccc(Br)cc2)nc2ccccc2c1=O
• InChI: InChI=1S/C30H26BrN3O4/c1-19-10-15-27(37-3)26(17-19)34-28(32-25-9-5-4-8-24(25)30(34)36)20(2)33(18-23-7-6-16-38-23)29(35)21-11-13-22(31)14-12-21/h4-17,20H,18H2,1-3H3
• InChIKey: YGOMHPIMGZRVQR-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 77.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.46
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?

The IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 3594369) is 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

What is the SMILES notation for 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?

The canonical SMILES for 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is COc1ccc(C)cc1-n1c(C(C)N(Cc2ccco2)C(=O)c2ccc(Br)cc2)nc2ccccc2c1=O.

What is the InChIKey of 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?

The InChIKey is YGOMHPIMGZRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BrN3O4/c1-19-10-15-27(37-3)26(17-19)34-28(32-25-9-5-4-8-24(25)30(34)36)20(2)33(18-23-7-6-16-38-23)29(35)21-11-13-22(31)14-12-21/h4-17,20H,18H2,1-3H3.

What are the key properties of 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?

4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 572.46 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 3594369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).