3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C29H23Cl2N3O4 — CID 4312469

About 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 4312469) has the molecular formula C29H23Cl2N3O4 and a molecular weight of 548.43 g/mol. Its IUPAC name is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
• PubChem CID: 4312469
• Molecular Formula: C29H23Cl2N3O4
• Molecular Weight: 548.43 g/mol
• Exact Mass: 547.11
• IUPAC Name: 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
• SMILES: COc1ccccc1-n1c(C(C)N(Cc2ccco2)C(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O
• InChI: InChI=1S/C29H23Cl2N3O4/c1-18(33(17-20-8-7-15-38-20)28(35)19-13-14-22(30)23(31)16-19)27-32-24-10-4-3-9-21(24)29(36)34(27)25-11-5-6-12-26(25)37-2/h3-16,18H,17H2,1-2H3
• InChIKey: SUJLSGLRHQEHOL-UHFFFAOYSA-N
• XLogP: 6.70
• 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	548.43
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 4312469) is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

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

The canonical SMILES for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is COc1ccccc1-n1c(C(C)N(Cc2ccco2)C(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O.

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

The InChIKey is SUJLSGLRHQEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O4/c1-18(33(17-20-8-7-15-38-20)28(35)19-13-14-22(30)23(31)16-19)27-32-24-10-4-3-9-21(24)29(36)34(27)25-11-5-6-12-26(25)37-2/h3-16,18H,17H2,1-2H3.

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

3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 548.43 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 4312469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).