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

C24H21N3O3S — CID 122190668

IUPAC3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-26-23-18(14-22(24(26)28)31(29,30)19-10-6-3-7-11-19)12-13-21-20(23)15-25-27(21)16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyBFIPPBLVJDQDFL-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.23
Rot. Bonds4

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

3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190668) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
PubChem CID122190668
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1Cc1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-26-23-18(14-22(24(26)28)31(29,30)19-10-6-3-7-11-19)12-13-21-20(23)15-25-27(21)16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyBFIPPBLVJDQDFL-UHFFFAOYSA-N
XLogP3.23
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-9-methyl-5,6-dihydro-1H-pyrrolo[3,4-h]quinolin-2-one
CID 71450238
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)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190667
3-(Benzenesulfonyl)-7-(2-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190669
3-(Benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190670
3-(Benzenesulfonyl)-1-benzyl-7-(4-chlorophenyl)-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
CID 122190672
3-(benzenesulfonyl)-7-(4-chlorophenyl)-5,6-dihydro-1H-pyrazolo[5,4-h]quinolin-2-one
CID 122190685
N,5-dimethyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-4-carboxamide
CID 42945851

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (CID 122190668) is 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1Cc1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The InChIKey is BFIPPBLVJDQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-26-23-18(14-22(24(26)28)31(29,30)19-10-6-3-7-11-19)12-13-21-20(23)15-25-27(21)16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one has a molecular weight of 431.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-benzyl-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).