3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C20H32N2O2S — CID 155690187

IUPAC3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNCCOS(C)(C)C(C)(C)C)cc2c1
InChIInChI=1S/C20H32N2O2S/c1-14-10-15(2)18-16(11-14)12-17(19(23)22-18)13-21-8-9-24-25(6,7)20(3,4)5/h10-12,21H,8-9,13H2,1-7H3,(H,22,23)
InChIKeyFVIKGZAGSUUSEJ-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.03
Rot. Bonds6

About 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 155690187) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID155690187
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CNCCOS(C)(C)C(C)(C)C)cc2c1
InChIInChI=1S/C20H32N2O2S/c1-14-10-15(2)18-16(11-14)12-17(19(23)22-18)13-21-8-9-24-25(6,7)20(3,4)5/h10-12,21H,8-9,13H2,1-7H3,(H,22,23)
InChIKeyFVIKGZAGSUUSEJ-UHFFFAOYSA-N
XLogP4.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one 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

3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 132948422
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]butane-1-sulfonamide
CID 110325324
3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 155690187) is 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CNCCOS(C)(C)C(C)(C)C)cc2c1.
What is the InChIKey of 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is FVIKGZAGSUUSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-14-10-15(2)18-16(11-14)12-17(19(23)22-18)13-21-8-9-24-25(6,7)20(3,4)5/h10-12,21H,8-9,13H2,1-7H3,(H,22,23).
What are the key properties of 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 364.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[tert-butyl(dimethyl)-λ4-sulfanyl]oxyethylamino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 155690187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).