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

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Related Compounds

7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate
CID 54713776
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793
3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54720238
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[8-methyl-6-[(E)-2-phenylethenyl]-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 175270355
[3-[3-methyl-2-(4-methylphenyl)butan-2-yl]-1H-indol-6-yl]-morpholin-4-ylmethanone
CID 123153419
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239

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).