6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid

C14H14N2O6S — CID 2338315

IUPAC6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C14H14N2O6S/c17-13-8-11(14(18)19)10-7-9(1-2-12(10)15-13)23(20,21)16-3-5-22-6-4-16/h1-2,7-8H,3-6H2,(H,15,17)(H,18,19)
InChIKeyAIMAFULXVHRDRV-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.25
Rot. Bonds3

About 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid

6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 2338315) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID2338315
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C14H14N2O6S/c17-13-8-11(14(18)19)10-7-9(1-2-12(10)15-13)23(20,21)16-3-5-22-6-4-16/h1-2,7-8H,3-6H2,(H,15,17)(H,18,19)
InChIKeyAIMAFULXVHRDRV-UHFFFAOYSA-N
XLogP0.25
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-oxochromen-6-yl)-1H-quinoline-4-carboxamide
CID 55978558
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55452724
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
CID 55676078
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylate
CID 55516572
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 3422172

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid (CID 2338315) is 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is AIMAFULXVHRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c17-13-8-11(14(18)19)10-7-9(1-2-12(10)15-13)23(20,21)16-3-5-22-6-4-16/h1-2,7-8H,3-6H2,(H,15,17)(H,18,19).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid?
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 2338315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).