4-(methylsulfanylmethyl)-1H-quinolin-2-one

C11H11NOS — CID 15269617

IUPAC4-(methylsulfanylmethyl)-1H-quinolin-2-one
SMILESCSCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C11H11NOS/c1-14-7-8-6-11(13)12-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyXONYLIQWEXBAMC-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.39
Rot. Bonds2

About 4-(methylsulfanylmethyl)-1H-quinolin-2-one

4-(methylsulfanylmethyl)-1H-quinolin-2-one (PubChem CID 15269617) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-1H-quinolin-2-one
PubChem CID15269617
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-(methylsulfanylmethyl)-1H-quinolin-2-one
SMILESCSCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C11H11NOS/c1-14-7-8-6-11(13)12-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyXONYLIQWEXBAMC-UHFFFAOYSA-N
XLogP2.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
CID 7061139
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
CID 6324316
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
4-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 135770818
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
4-(aminomethyl)-1H-quinolin-2-one;azane;4-(bromomethyl)-1H-quinolin-2-one
CID 159957961
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
4-(3-cyclopropylpropyl)-1H-quinolin-2-one
CID 123202652
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(methylsulfanylmethyl)-1H-quinolin-2-one (CID 15269617) is 4-(methylsulfanylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(methylsulfanylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(methylsulfanylmethyl)-1H-quinolin-2-one is CSCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(methylsulfanylmethyl)-1H-quinolin-2-one?
The InChIKey is XONYLIQWEXBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-14-7-8-6-11(13)12-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 4-(methylsulfanylmethyl)-1H-quinolin-2-one?
4-(methylsulfanylmethyl)-1H-quinolin-2-one has a molecular weight of 205.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 15269617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).