3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea

C30H26Cl2N4O4 — CID 42723191

About 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea

3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (PubChem CID 42723191) has the molecular formula C30H26Cl2N4O4 and a molecular weight of 577.47 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.

Molecular Properties

• Compound Name: 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
• PubChem CID: 42723191
• Molecular Formula: C30H26Cl2N4O4
• Molecular Weight: 577.47 g/mol
• Exact Mass: 576.13
• IUPAC Name: 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(Cc1ccco1)C(=O)Nc1cccc(Cl)c1Cl
• InChI: InChI=1S/C30H26Cl2N4O4/c1-3-24(35(18-19-10-9-17-40-19)30(38)34-23-14-8-12-21(31)27(23)32)28-33-22-13-5-4-11-20(22)29(37)36(28)25-15-6-7-16-26(25)39-2/h4-17,24H,3,18H2,1-2H3,(H,34,38)
• InChIKey: JZAYCURBSYJSPY-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.47
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?

The IUPAC name of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (CID 42723191) is 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.

What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?

The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(Cc1ccco1)C(=O)Nc1cccc(Cl)c1Cl.

What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?

The InChIKey is JZAYCURBSYJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O4/c1-3-24(35(18-19-10-9-17-40-19)30(38)34-23-14-8-12-21(31)27(23)32)28-33-22-13-5-4-11-20(22)29(37)36(28)25-15-6-7-16-26(25)39-2/h4-17,24H,3,18H2,1-2H3,(H,34,38).

What are the key properties of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?

3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea has a molecular weight of 577.47 g/mol, XLogP of 7.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is sourced from PubChem (CID 42723191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).