N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide

C30H26ClN3O4 — CID 42720133

About N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide

N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide (PubChem CID 42720133) has the molecular formula C30H26ClN3O4 and a molecular weight of 528.01 g/mol. Its IUPAC name is N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
• PubChem CID: 42720133
• Molecular Formula: C30H26ClN3O4
• Molecular Weight: 528.01 g/mol
• Exact Mass: 527.16
• IUPAC Name: N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)N(Cc2ccco2)C(C)c2nc3cc(Cl)ccc3c(=O)n2-c2ccc(C)cc2)c1
• InChI: InChI=1S/C30H26ClN3O4/c1-19-9-12-23(13-10-19)34-28(32-27-17-22(31)11-14-26(27)30(34)36)20(2)33(18-25-8-5-15-38-25)29(35)21-6-4-7-24(16-21)37-3/h4-17,20H,18H2,1-3H3
• InChIKey: UZBFWUZOEVHCFU-UHFFFAOYSA-N
• XLogP: 6.35
• 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	528.01
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The IUPAC name of N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide (CID 42720133) is N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide.

What is the SMILES notation for N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The canonical SMILES for N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccco2)C(C)c2nc3cc(Cl)ccc3c(=O)n2-c2ccc(C)cc2)c1.

What is the InChIKey of N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

The InChIKey is UZBFWUZOEVHCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O4/c1-19-9-12-23(13-10-19)34-28(32-27-17-22(31)11-14-26(27)30(34)36)20(2)33(18-25-8-5-15-38-25)29(35)21-6-4-7-24(16-21)37-3/h4-17,20H,18H2,1-3H3.

What are the key properties of N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide?

N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide has a molecular weight of 528.01 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 42720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).