3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one

C15H20N2O2S — CID 103682882

IUPAC3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCSCC(C)(O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H20N2O2S/c1-15(19,10-20-2)9-16-8-12-7-11-5-3-4-6-13(11)17-14(12)18/h3-7,16,19H,8-10H2,1-2H3,(H,17,18)
InChIKeyFHQZABCQNKDQPX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.73
Rot. Bonds6

About 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one

3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 103682882) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID103682882
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
SMILESCSCC(C)(O)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H20N2O2S/c1-15(19,10-20-2)9-16-8-12-7-11-5-3-4-6-13(11)17-14(12)18/h3-7,16,19H,8-10H2,1-2H3,(H,17,18)
InChIKeyFHQZABCQNKDQPX-UHFFFAOYSA-N
XLogP1.73
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3240307
N-(2-cyclohex-1-en-1-ylethyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 12005162
N-{3-[Ethyl(phenyl)amino]propyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008580
3-((Tert-butylamino)methyl)quinolin-2-ol
CID 664785
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 667315
N-butyl-N-((2-hydroxyquinolin-3-yl)methyl)methanesulfonamide
CID 1946166
N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2981337
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(3-morpholin-4-ylpropyl)acetamide
CID 3244567
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 9551250
N-(2-cyclohex-1-en-1-ylethyl)-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 12005053
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008578
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[3-(4-methylpiperidin-1-YL)propyl]acetamide
CID 16195316

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one (CID 103682882) is 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one is CSCC(C)(O)CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is FHQZABCQNKDQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(19,10-20-2)9-16-8-12-7-11-5-3-4-6-13(11)17-14(12)18/h3-7,16,19H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one?
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 292.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103682882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).