3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one

C29H22ClN3O3S — CID 122190672

IUPAC3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)cc2c(n1Cc1ccccc1)-c1cnn(-c3ccc(Cl)cc3)c1CC2
InChIInChI=1S/C29H22ClN3O3S/c30-22-12-14-23(15-13-22)33-26-16-11-21-17-27(37(35,36)24-9-5-2-6-10-24)29(34)32(28(21)25(26)18-31-33)19-20-7-3-1-4-8-20/h1-10,12-15,17-18H,11,16,19H2
InChIKeyLXOQVKGGBHCDLJ-UHFFFAOYSA-N
MW528.03 g/mol
LogP5.33
Rot. Bonds5

About 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one

3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190672) has the molecular formula C29H22ClN3O3S and a molecular weight of 528.03 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
PubChem CID122190672
Molecular FormulaC29H22ClN3O3S
Molecular Weight528.03 g/mol
Exact Mass527.11
IUPAC Name3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)cc2c(n1Cc1ccccc1)-c1cnn(-c3ccc(Cl)cc3)c1CC2
InChIInChI=1S/C29H22ClN3O3S/c30-22-12-14-23(15-13-22)33-26-16-11-21-17-27(37(35,36)24-9-5-2-6-10-24)29(34)32(28(21)25(26)18-31-33)19-20-7-3-1-4-8-20/h1-10,12-15,17-18H,11,16,19H2
InChIKeyLXOQVKGGBHCDLJ-UHFFFAOYSA-N
XLogP5.33
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.03
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-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 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (CID 122190672) is 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is O=c1c(S(=O)(=O)c2ccccc2)cc2c(n1Cc1ccccc1)-c1cnn(-c3ccc(Cl)cc3)c1CC2.
What is the InChIKey of 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The InChIKey is LXOQVKGGBHCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O3S/c30-22-12-14-23(15-13-22)33-26-16-11-21-17-27(37(35,36)24-9-5-2-6-10-24)29(34)32(28(21)25(26)18-31-33)19-20-7-3-1-4-8-20/h1-10,12-15,17-18H,11,16,19H2.
What are the key properties of 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one has a molecular weight of 528.03 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).