3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide

C27H24Cl3N3O2 — CID 5187207

About 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide

3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (PubChem CID 5187207) has the molecular formula C27H24Cl3N3O2 and a molecular weight of 528.87 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
• PubChem CID: 5187207
• Molecular Formula: C27H24Cl3N3O2
• Molecular Weight: 528.87 g/mol
• Exact Mass: 527.09
• IUPAC Name: 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
• SMILES: CCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
• InChI: InChI=1S/C27H24Cl3N3O2/c1-3-14-32(26(34)17-12-13-21(29)22(30)15-17)24(4-2)25-31-23-11-6-5-10-20(23)27(35)33(25)19-9-7-8-18(28)16-19/h5-13,15-16,24H,3-4,14H2,1-2H3
• InChIKey: CUNFCDAADJQBKZ-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.87
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?

The IUPAC name of 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (CID 5187207) is 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.

What is the SMILES notation for 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?

The canonical SMILES for 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?

The InChIKey is CUNFCDAADJQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O2/c1-3-14-32(26(34)17-12-13-21(29)22(30)15-17)24(4-2)25-31-23-11-6-5-10-20(23)27(35)33(25)19-9-7-8-18(28)16-19/h5-13,15-16,24H,3-4,14H2,1-2H3.

What are the key properties of 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?

3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide has a molecular weight of 528.87 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is sourced from PubChem (CID 5187207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).