5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one

C25H23Cl3N4O3S — CID 10166678

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one
SMILESCC1CNCCN1S(=O)(=O)c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C25H23Cl3N4O3S/c1-15-13-29-9-10-31(15)36(34,35)16-11-18(17-5-2-3-6-20(17)26)19-14-30-25(33)32(23(19)12-16)24-21(27)7-4-8-22(24)28/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H,30,33)
InChIKeyQBQJHPPBFULQHP-UHFFFAOYSA-N
MW565.91 g/mol
LogP5.66
Rot. Bonds4

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one (PubChem CID 10166678) has the molecular formula C25H23Cl3N4O3S and a molecular weight of 565.91 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one
PubChem CID10166678
Molecular FormulaC25H23Cl3N4O3S
Molecular Weight565.91 g/mol
Exact Mass564.06
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one
SMILESCC1CNCCN1S(=O)(=O)c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C25H23Cl3N4O3S/c1-15-13-29-9-10-31(15)36(34,35)16-11-18(17-5-2-3-6-20(17)26)19-14-30-25(33)32(23(19)12-16)24-21(27)7-4-8-22(24)28/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H,30,33)
InChIKeyQBQJHPPBFULQHP-UHFFFAOYSA-N
XLogP5.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.91
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one (CID 10166678) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one is CC1CNCCN1S(=O)(=O)c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one?
The InChIKey is QBQJHPPBFULQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O3S/c1-15-13-29-9-10-31(15)36(34,35)16-11-18(17-5-2-3-6-20(17)26)19-14-30-25(33)32(23(19)12-16)24-21(27)7-4-8-22(24)28/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H,30,33).
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one has a molecular weight of 565.91 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(2-methylpiperazin-1-yl)sulfonyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10166678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).