2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

C16H18N2O5S — CID 4646569

IUPAC2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H18N2O5S/c1-2-11-9-14(16(19)20)13-10-12(3-4-15(13)17-11)24(21,22)18-5-7-23-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,19,20)
InChIKeyVLJKGUILYUGQRC-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.52
Rot. Bonds4

About 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid

2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (PubChem CID 4646569) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
PubChem CID4646569
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H18N2O5S/c1-2-11-9-14(16(19)20)13-10-12(3-4-15(13)17-11)24(21,22)18-5-7-23-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,19,20)
InChIKeyVLJKGUILYUGQRC-UHFFFAOYSA-N
XLogP1.52
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
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-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
4-(2-hydroxyethylcarbamoyl)-6-morpholin-4-ylsulfonylquinoline-3-carboxylic acid
CID 11517105
N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367214
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid (CID 4646569) is 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is CCc1cc(C(=O)O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
The InChIKey is VLJKGUILYUGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-2-11-9-14(16(19)20)13-10-12(3-4-15(13)17-11)24(21,22)18-5-7-23-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid?
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid is sourced from PubChem (CID 4646569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).