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

C23H16ClN3O3S — CID 122190681

IUPAC3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccc3c(cnn3-c3ccc(Cl)cc3)c21
InChIInChI=1S/C23H16ClN3O3S/c1-26-22-15(13-21(23(26)28)31(29,30)18-5-3-2-4-6-18)7-12-20-19(22)14-25-27(20)17-10-8-16(24)9-11-17/h2-14H,1H3
InChIKeyXKOPXOHAGRIFDU-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.36
Rot. Bonds3

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

3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one (PubChem CID 122190681) has the molecular formula C23H16ClN3O3S and a molecular weight of 449.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one
PubChem CID122190681
Molecular FormulaC23H16ClN3O3S
Molecular Weight449.92 g/mol
Exact Mass449.06
IUPAC Name3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccc3c(cnn3-c3ccc(Cl)cc3)c21
InChIInChI=1S/C23H16ClN3O3S/c1-26-22-15(13-21(23(26)28)31(29,30)18-5-3-2-4-6-18)7-12-20-19(22)14-25-27(20)17-10-8-16(24)9-11-17/h2-14H,1H3
InChIKeyXKOPXOHAGRIFDU-UHFFFAOYSA-N
XLogP4.36
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one (CID 122190681) is 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one is Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccc3c(cnn3-c3ccc(Cl)cc3)c21.
What is the InChIKey of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one?
The InChIKey is XKOPXOHAGRIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3S/c1-26-22-15(13-21(23(26)28)31(29,30)18-5-3-2-4-6-18)7-12-20-19(22)14-25-27(20)17-10-8-16(24)9-11-17/h2-14H,1H3.
What are the key properties of 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one has a molecular weight of 449.92 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(4-chlorophenyl)-1-methylpyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 122190681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).