1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea

C24H22Cl2N4O3 — CID 42711213

About 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea

1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea (PubChem CID 42711213) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
• PubChem CID: 42711213
• Molecular Formula: C24H22Cl2N4O3
• Molecular Weight: 485.37 g/mol
• Exact Mass: 484.11
• IUPAC Name: 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
• SMILES: CCn1c(C(C)N(Cc2ccco2)C(=O)Nc2cccc(Cl)c2)nc2cc(Cl)ccc2c1=O
• InChI: InChI=1S/C24H22Cl2N4O3/c1-3-29-22(28-21-13-17(26)9-10-20(21)23(29)31)15(2)30(14-19-8-5-11-33-19)24(32)27-18-7-4-6-16(25)12-18/h4-13,15H,3,14H2,1-2H3,(H,27,32)
• InChIKey: XLIAGSZDLOKJJY-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.37
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea (CID 42711213) is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea.

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

The canonical SMILES for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea is CCn1c(C(C)N(Cc2ccco2)C(=O)Nc2cccc(Cl)c2)nc2cc(Cl)ccc2c1=O.

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

The InChIKey is XLIAGSZDLOKJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-3-29-22(28-21-13-17(26)9-10-20(21)23(29)31)15(2)30(14-19-8-5-11-33-19)24(32)27-18-7-4-6-16(25)12-18/h4-13,15H,3,14H2,1-2H3,(H,27,32).

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

1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea has a molecular weight of 485.37 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 42711213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).