(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate

C20H20N2O6S — CID 18266738

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C1CCc2cc(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2N1
InChIInChI=1S/C20H20N2O6S/c23-19-8-3-15-13-16(4-7-18(15)21-19)28-20(24)14-1-5-17(6-2-14)29(25,26)22-9-11-27-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23)
InChIKeyWRRGFGGJXJNXSF-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.81
Rot. Bonds4

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 18266738) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
PubChem CID18266738
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C1CCc2cc(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2N1
InChIInChI=1S/C20H20N2O6S/c23-19-8-3-15-13-16(4-7-18(15)21-19)28-20(24)14-1-5-17(6-2-14)29(25,26)22-9-11-27-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23)
InChIKeyWRRGFGGJXJNXSF-UHFFFAOYSA-N
XLogP1.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
CID 55516572
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
(3-fluorophenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 8779251
6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122335395
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate (CID 18266738) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate is O=C1CCc2cc(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is WRRGFGGJXJNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c23-19-8-3-15-13-16(4-7-18(15)21-19)28-20(24)14-1-5-17(6-2-14)29(25,26)22-9-11-27-12-10-22/h1-2,4-7,13H,3,8-12H2,(H,21,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 416.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 18266738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).