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

C23H19N3O3S — CID 122190667

IUPAC3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C23H19N3O3S/c1-25-22-16(14-21(23(25)27)30(28,29)18-10-6-3-7-11-18)12-13-20-19(22)15-24-26(20)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3
InChIKeyBRRJXOQIUZPQBG-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.17
Rot. Bonds3

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

3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190667) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
PubChem CID122190667
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C23H19N3O3S/c1-25-22-16(14-21(23(25)27)30(28,29)18-10-6-3-7-11-18)12-13-20-19(22)15-24-26(20)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3
InChIKeyBRRJXOQIUZPQBG-UHFFFAOYSA-N
XLogP3.17
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one
CID 122190681
(E)-N-[4-(4-pyrazol-1-ylphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70980016
3-{5-[(1,3-Diphenylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}thiolane-1,1-dione
CID 5727132
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2123428
3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acrylonitrile
CID 2209085
7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one
CID 54613020
7-benzyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one
CID 54613635
3-(Benzenesulfonyl)-8-benzyl-1-methyl-5,6-dihydropyrrolo[3,4-h]quinolin-2-one
CID 71462765
3-(benzenesulfonyl)-7-(2-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
CID 122190664
3-(benzenesulfonyl)-7-(3-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
CID 122190665
3-(Benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190668
3-(Benzenesulfonyl)-7-(2-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190669

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (CID 122190667) is 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The InChIKey is BRRJXOQIUZPQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-25-22-16(14-21(23(25)27)30(28,29)18-10-6-3-7-11-18)12-13-20-19(22)15-24-26(20)17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one has a molecular weight of 417.49 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).