1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide

C14H20N2O3S — CID 119055614

IUPAC1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
SMILESCCN1C(=O)CCc2cc(S(=O)(=O)NC(C)C)ccc21
InChIInChI=1S/C14H20N2O3S/c1-4-16-13-7-6-12(20(18,19)15-10(2)3)9-11(13)5-8-14(16)17/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyZDEFJRRIBXLYIR-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.67
Rot. Bonds4

About 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide

1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 119055614) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
PubChem CID119055614
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
SMILESCCN1C(=O)CCc2cc(S(=O)(=O)NC(C)C)ccc21
InChIInChI=1S/C14H20N2O3S/c1-4-16-13-7-6-12(20(18,19)15-10(2)3)9-11(13)5-8-14(16)17/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyZDEFJRRIBXLYIR-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
CID 138673288
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
4-fluoro-N-[1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)ethyl]benzenesulfonamide
CID 122456076
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide (CID 119055614) is 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide is CCN1C(=O)CCc2cc(S(=O)(=O)NC(C)C)ccc21.
What is the InChIKey of 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is ZDEFJRRIBXLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-16-13-7-6-12(20(18,19)15-10(2)3)9-11(13)5-8-14(16)17/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide?
1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 119055614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).