N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide

C15H20N2O3S — CID 110326306

IUPACN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C15H20N2O3S/c1-4-21(19,20)16-6-5-12-9-13-8-10(2)7-11(3)14(13)17-15(12)18/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyGRIOGHJJGNYBIK-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide

N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide (PubChem CID 110326306) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
PubChem CID110326306
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C15H20N2O3S/c1-4-21(19,20)16-6-5-12-9-13-8-10(2)7-11(3)14(13)17-15(12)18/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyGRIOGHJJGNYBIK-UHFFFAOYSA-N
XLogP1.63
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110326323
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326320
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide (CID 110326306) is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide?
The InChIKey is GRIOGHJJGNYBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-21(19,20)16-6-5-12-9-13-8-10(2)7-11(3)14(13)17-15(12)18/h7-9,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide?
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110326306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).