3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one

C23H20N2O4S — CID 158349800

IUPAC3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESCN(C)c1ccc(-c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H20N2O4S/c1-25(2)17-11-8-15(9-12-17)16-10-13-19-20(14-16)24-23(27)22(21(19)26)30(28,29)18-6-4-3-5-7-18/h3-14H,1-2H3,(H2,24,26,27)
InChIKeyGSECZULPBRNEMM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.80
Rot. Bonds4

About 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one

3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 158349800) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID158349800
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESCN(C)c1ccc(-c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C23H20N2O4S/c1-25(2)17-11-8-15(9-12-17)16-10-13-19-20(14-16)24-23(27)22(21(19)26)30(28,29)18-6-4-3-5-7-18/h3-14H,1-2H3,(H2,24,26,27)
InChIKeyGSECZULPBRNEMM-UHFFFAOYSA-N
XLogP3.80
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one (CID 158349800) is 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one is CN(C)c1ccc(-c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is GSECZULPBRNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-25(2)17-11-8-15(9-12-17)16-10-13-19-20(14-16)24-23(27)22(21(19)26)30(28,29)18-6-4-3-5-7-18/h3-14H,1-2H3,(H2,24,26,27).
What are the key properties of 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one?
3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 420.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 158349800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).