6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid

C15H14N2O7S — CID 11682116

IUPAC6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
SMILESO=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)O
InChIInChI=1S/C15H14N2O7S/c18-14(19)11-8-16-12-2-1-9(7-10(12)13(11)15(20)21)25(22,23)17-3-5-24-6-4-17/h1-2,7-8H,3-6H2,(H,18,19)(H,20,21)
InChIKeyUOEPONKDKDBQEP-UHFFFAOYSA-N
MW366.35 g/mol
LogP0.65
Rot. Bonds4

About 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid

6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid (PubChem CID 11682116) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
PubChem CID11682116
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Name6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
SMILESO=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)O
InChIInChI=1S/C15H14N2O7S/c18-14(19)11-8-16-12-2-1-9(7-10(12)13(11)15(20)21)25(22,23)17-3-5-24-6-4-17/h1-2,7-8H,3-6H2,(H,18,19)(H,20,21)
InChIKeyUOEPONKDKDBQEP-UHFFFAOYSA-N
XLogP0.65
TPSA134.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid 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

4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
CID 11517105
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
2-bromo-7-morpholin-4-ylsulfonyl-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 87071639
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid?
The IUPAC name of 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid (CID 11682116) is 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid.
What is the SMILES notation for 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid?
The canonical SMILES for 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid is O=C(O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C(=O)O.
What is the InChIKey of 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid?
The InChIKey is UOEPONKDKDBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c18-14(19)11-8-16-12-2-1-9(7-10(12)13(11)15(20)21)25(22,23)17-3-5-24-6-4-17/h1-2,7-8H,3-6H2,(H,18,19)(H,20,21).
What are the key properties of 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid?
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid has a molecular weight of 366.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid is sourced from PubChem (CID 11682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).