(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate

C18H18N2O5S — CID 18226763

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C18H18N2O5S/c1-20(2)26(23,24)15-7-3-12(4-8-15)18(22)25-14-6-9-16-13(11-14)5-10-17(21)19-16/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,21)
InChIKeyLSWPLJPHGFCRLW-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.04
Rot. Bonds4

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate (PubChem CID 18226763) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
PubChem CID18226763
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C18H18N2O5S/c1-20(2)26(23,24)15-7-3-12(4-8-15)18(22)25-14-6-9-16-13(11-14)5-10-17(21)19-16/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,21)
InChIKeyLSWPLJPHGFCRLW-UHFFFAOYSA-N
XLogP2.04
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(difluoromethylsulfonyl)benzoate
CID 18270386
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetate
CID 71898874
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
(3-bromophenyl) 4-(dimethylsulfamoyl)benzoate
CID 8017741
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3239722
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate (CID 18226763) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate?
The InChIKey is LSWPLJPHGFCRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(2)26(23,24)15-7-3-12(4-8-15)18(22)25-14-6-9-16-13(11-14)5-10-17(21)19-16/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,21).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate has a molecular weight of 374.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 18226763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).