6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one

C17H24N2O3S — CID 119055603

IUPAC6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-2-19-16-9-8-15(13-14(16)7-10-17(19)20)23(21,22)18-11-5-3-4-6-12-18/h8-9,13H,2-7,10-12H2,1H3
InChIKeyRBJOEQNKEYVPFC-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.55
Rot. Bonds3

About 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one

6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 119055603) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID119055603
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-2-19-16-9-8-15(13-14(16)7-10-17(19)20)23(21,22)18-11-5-3-4-6-12-18/h8-9,13H,2-7,10-12H2,1H3
InChIKeyRBJOEQNKEYVPFC-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20958734
N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794742
N-(2-methylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794705
N-benzyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 20958718
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 20958737
N-cycloheptyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794882
N-(4-ethylphenyl)-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122334
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 53122542
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 46345267
2-[7-(azepan-1-ylsulfonyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53122528

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one (CID 119055603) is 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21.
What is the InChIKey of 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is RBJOEQNKEYVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-19-16-9-8-15(13-14(16)7-10-17(19)20)23(21,22)18-11-5-3-4-6-12-18/h8-9,13H,2-7,10-12H2,1H3.
What are the key properties of 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one?
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 119055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).