3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one

C18H17NOS — CID 166457923

IUPAC3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
SMILESCSCc1ccc(Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H17NOS/c1-21-12-14-8-6-13(7-9-14)10-16-11-15-4-2-3-5-17(15)19-18(16)20/h2-9,11H,10,12H2,1H3,(H,19,20)
InChIKeyUQCNYIZMNBOFED-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.98
Rot. Bonds4

About 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one

3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one (PubChem CID 166457923) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
PubChem CID166457923
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
SMILESCSCc1ccc(Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H17NOS/c1-21-12-14-8-6-13(7-9-14)10-16-11-15-4-2-3-5-17(15)19-18(16)20/h2-9,11H,10,12H2,1H3,(H,19,20)
InChIKeyUQCNYIZMNBOFED-UHFFFAOYSA-N
XLogP3.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-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-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 167290973
3-[(4-methylsulfanylbutan-2-ylamino)methyl]-1H-quinolin-2-one
CID 115640570
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one (CID 166457923) is 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one is CSCc1ccc(Cc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one?
The InChIKey is UQCNYIZMNBOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-21-12-14-8-6-13(7-9-14)10-16-11-15-4-2-3-5-17(15)19-18(16)20/h2-9,11H,10,12H2,1H3,(H,19,20).
What are the key properties of 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one?
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one has a molecular weight of 295.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).