2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid

C15H20N2O5S — CID 16762964

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-2-3-4-13(15(19)20)17-23(21,22)11-6-7-12-10(9-11)5-8-14(18)16-12/h6-7,9,13,17H,2-5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyLEGAMEPROJNAFQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.49
Rot. Bonds7

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid (PubChem CID 16762964) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
PubChem CID16762964
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-2-3-4-13(15(19)20)17-23(21,22)11-6-7-12-10(9-11)5-8-14(18)16-12/h6-7,9,13,17H,2-5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyLEGAMEPROJNAFQ-UHFFFAOYSA-N
XLogP1.49
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 81086190
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
(2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonylamino]hexanoic acid
CID 42587865
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 82155470
N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
(2S)-N-(3,3-diethoxypropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 92665559

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid (CID 16762964) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid?
The InChIKey is LEGAMEPROJNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-2-3-4-13(15(19)20)17-23(21,22)11-6-7-12-10(9-11)5-8-14(18)16-12/h6-7,9,13,17H,2-5,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 16762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).