dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate

C19H18N2O7S — CID 3241035

IUPACdimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1
InChIInChI=1S/C19H18N2O7S/c1-27-18(23)12-7-13(19(24)28-2)9-14(8-12)21-29(25,26)15-4-5-16-11(10-15)3-6-17(22)20-16/h4-5,7-10,21H,3,6H2,1-2H3,(H,20,22)
InChIKeyHALWJVQHOIRTRS-UHFFFAOYSA-N
MW418.43 g/mol
LogP1.95
Rot. Bonds5

About dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 3241035) has the molecular formula C19H18N2O7S and a molecular weight of 418.43 g/mol. Its IUPAC name is dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID3241035
Molecular FormulaC19H18N2O7S
Molecular Weight418.43 g/mol
Exact Mass418.08
IUPAC Namedimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1
InChIInChI=1S/C19H18N2O7S/c1-27-18(23)12-7-13(19(24)28-2)9-14(8-12)21-29(25,26)15-4-5-16-11(10-15)3-6-17(22)20-16/h4-5,7-10,21H,3,6H2,1-2H3,(H,20,22)
InChIKeyHALWJVQHOIRTRS-UHFFFAOYSA-N
XLogP1.95
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate (CID 3241035) is dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is HALWJVQHOIRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O7S/c1-27-18(23)12-7-13(19(24)28-2)9-14(8-12)21-29(25,26)15-4-5-16-11(10-15)3-6-17(22)20-16/h4-5,7-10,21H,3,6H2,1-2H3,(H,20,22).
What are the key properties of dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 418.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3241035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).