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

C30H26ClN3O4 — CID 42723423

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

2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42723423) has the molecular formula C30H26ClN3O4 and a molecular weight of 528.01 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• PubChem CID: 42723423
• Molecular Formula: C30H26ClN3O4
• Molecular Weight: 528.01 g/mol
• Exact Mass: 527.16
• IUPAC Name: 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(Cc1ccco1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C30H26ClN3O4/c1-3-25(33(19-20-11-10-18-38-20)29(35)21-12-4-6-14-23(21)31)28-32-24-15-7-5-13-22(24)30(36)34(28)26-16-8-9-17-27(26)37-2/h4-18,25H,3,19H2,1-2H3
• InChIKey: KZKYUZOQMYAUDX-UHFFFAOYSA-N
• XLogP: 6.43
• 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	528.01
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42723423) is 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

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

The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(Cc1ccco1)C(=O)c1ccccc1Cl.

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

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

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

2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 528.01 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42723423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).