6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate

C18H13N2O5S- — CID 3519718

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O
InChIInChI=1S/C18H14N2O5S/c21-17-13-9-12(5-6-15(13)19-10-14(17)18(22)23)26(24,25)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10H,7-8H2,(H,19,21)(H,22,23)/p-1
InChIKeyRWXJDJTXOGWKFG-UHFFFAOYSA-M
MW369.38 g/mol
LogP0.64
Rot. Bonds3

About 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate

6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 3519718) has the molecular formula C18H13N2O5S- and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID3519718
Molecular FormulaC18H13N2O5S-
Molecular Weight369.38 g/mol
Exact Mass369.06
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O
InChIInChI=1S/C18H14N2O5S/c21-17-13-9-12(5-6-15(13)19-10-14(17)18(22)23)26(24,25)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10H,7-8H2,(H,19,21)(H,22,23)/p-1
InChIKeyRWXJDJTXOGWKFG-UHFFFAOYSA-M
XLogP0.64
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4054888
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
8-(2,3-dihydroindol-1-ylsulfonyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 135840554

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate (CID 3519718) is 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate is O=C([O-])c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is RWXJDJTXOGWKFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N2O5S/c21-17-13-9-12(5-6-15(13)19-10-14(17)18(22)23)26(24,25)20-8-7-11-3-1-2-4-16(11)20/h1-6,9-10H,7-8H2,(H,19,21)(H,22,23)/p-1.
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate?
6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3519718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).