N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide

C12H16N2O3S — CID 110729989

IUPACN-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,13H,6-9H2,1H3
InChIKeyDKQCMLGOBOPRKF-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide

N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide (PubChem CID 110729989) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
PubChem CID110729989
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,13H,6-9H2,1H3
InChIKeyDKQCMLGOBOPRKF-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
CID 110748751
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
2-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730109
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-(4-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 110730104
1-[3-(tert-butylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide (CID 110729989) is N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1C(=O)CCc2ccccc21.
What is the InChIKey of N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide?
The InChIKey is DKQCMLGOBOPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)13-8-9-14-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,13H,6-9H2,1H3.
What are the key properties of N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide?
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).