4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one

C21H20N2O6S — CID 54710125

IUPAC4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H20N2O6S/c1-13-2-5-15(6-3-13)30(27,28)19-18(24)16-7-4-14(12-17(16)22-20(19)25)21(26)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H2,22,24,25)
InChIKeyCXQYECPOWDMXGS-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.85
Rot. Bonds3

About 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one

4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one (PubChem CID 54710125) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
PubChem CID54710125
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H20N2O6S/c1-13-2-5-15(6-3-13)30(27,28)19-18(24)16-7-4-14(12-17(16)22-20(19)25)21(26)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H2,22,24,25)
InChIKeyCXQYECPOWDMXGS-UHFFFAOYSA-N
XLogP1.85
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one (CID 54710125) is 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one is Cc1ccc(S(=O)(=O)c2c(O)c3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one?
The InChIKey is CXQYECPOWDMXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-13-2-5-15(6-3-13)30(27,28)19-18(24)16-7-4-14(12-17(16)22-20(19)25)21(26)23-8-10-29-11-9-23/h2-7,12H,8-11H2,1H3,(H2,22,24,25).
What are the key properties of 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one?
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one has a molecular weight of 428.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 54710125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).