3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one

C23H17N3O4S — CID 137028281

IUPAC3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESCOc1ccc(-n2ncc3c4[nH]c(=O)c(S(=O)(=O)c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C23H17N3O4S/c1-30-17-10-8-16(9-11-17)26-20-12-7-15-13-21(23(27)25-22(15)19(20)14-24-26)31(28,29)18-5-3-2-4-6-18/h2-14H,1H3,(H,25,27)
InChIKeyIHPFAGQRTPYBNX-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.71
Rot. Bonds4

About 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one

3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one (PubChem CID 137028281) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one
PubChem CID137028281
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC Name3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one
SMILESCOc1ccc(-n2ncc3c4[nH]c(=O)c(S(=O)(=O)c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C23H17N3O4S/c1-30-17-10-8-16(9-11-17)26-20-12-7-15-13-21(23(27)25-22(15)19(20)14-24-26)31(28,29)18-5-3-2-4-6-18/h2-14H,1H3,(H,25,27)
InChIKeyIHPFAGQRTPYBNX-UHFFFAOYSA-N
XLogP3.71
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one (CID 137028281) is 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one is COc1ccc(-n2ncc3c4[nH]c(=O)c(S(=O)(=O)c5ccccc5)cc4ccc32)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one?
The InChIKey is IHPFAGQRTPYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c1-30-17-10-8-16(9-11-17)26-20-12-7-15-13-21(23(27)25-22(15)19(20)14-24-26)31(28,29)18-5-3-2-4-6-18/h2-14H,1H3,(H,25,27).
What are the key properties of 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one?
3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one has a molecular weight of 431.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(4-methoxyphenyl)-1H-pyrazolo[5,4-h]quinolin-2-one is sourced from PubChem (CID 137028281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).