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

C23H18ClN3O3S — CID 122190670

IUPAC3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O3S/c1-26-22-15(12-21(23(26)28)31(29,30)18-8-3-2-4-9-18)10-11-20-19(22)14-25-27(20)17-7-5-6-16(24)13-17/h2-9,12-14H,10-11H2,1H3
InChIKeyDETWHFACRBXMAA-UHFFFAOYSA-N
MW451.94 g/mol
LogP3.82
Rot. Bonds3

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

3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190670) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
PubChem CID122190670
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
SMILESCn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN3O3S/c1-26-22-15(12-21(23(26)28)31(29,30)18-8-3-2-4-9-18)10-11-20-19(22)14-25-27(20)17-7-5-6-16(24)13-17/h2-9,12-14H,10-11H2,1H3
InChIKeyDETWHFACRBXMAA-UHFFFAOYSA-N
XLogP3.82
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one (CID 122190670) is 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1cccc(Cl)c1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
The InChIKey is DETWHFACRBXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-26-22-15(12-21(23(26)28)31(29,30)18-8-3-2-4-9-18)10-11-20-19(22)14-25-27(20)17-7-5-6-16(24)13-17/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one has a molecular weight of 451.94 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(3-chlorophenyl)-1-methyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).