6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate

C18H15N2O5S- — CID 4121031

IUPAC6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-11-5-3-4-6-16(11)20(2)26(24,25)12-7-8-15-13(9-12)17(21)14(10-19-15)18(22)23/h3-10H,1-2H3,(H,19,21)(H,22,23)/p-1
InChIKeyXKPFQOBZDFZXHZ-UHFFFAOYSA-M
MW371.39 g/mol
LogP1.03
Rot. Bonds4

About 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate

6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 4121031) has the molecular formula C18H15N2O5S- and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID4121031
Molecular FormulaC18H15N2O5S-
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1
InChIInChI=1S/C18H16N2O5S/c1-11-5-3-4-6-16(11)20(2)26(24,25)12-7-8-15-13(9-12)17(21)14(10-19-15)18(22)23/h3-10H,1-2H3,(H,19,21)(H,22,23)/p-1
InChIKeyXKPFQOBZDFZXHZ-UHFFFAOYSA-M
XLogP1.03
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
N-tert-butyl-6-[(2,5-dimethylphenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15996400
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-4-oxo-N-propan-2-yl-1H-quinoline-3-carboxamide
CID 3465923
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide
CID 93204250
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
N-tert-butyl-6-[(4-chlorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4615282
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3519718
6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 3413662
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate (CID 4121031) is 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate is Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1.
What is the InChIKey of 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is XKPFQOBZDFZXHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O5S/c1-11-5-3-4-6-16(11)20(2)26(24,25)12-7-8-15-13(9-12)17(21)14(10-19-15)18(22)23/h3-10H,1-2H3,(H,19,21)(H,22,23)/p-1.
What are the key properties of 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate?
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 4121031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).