6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one

C17H15NOS — CID 22580159

IUPAC6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CSc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C17H15NOS/c1-12-7-8-16-15(9-12)17(19)10-13(18-16)11-20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyXUGXHDZLENLSTJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds3

About 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one

6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one (PubChem CID 22580159) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one
PubChem CID22580159
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CSc3ccccc3)cc(=O)c2c1
InChIInChI=1S/C17H15NOS/c1-12-7-8-16-15(9-12)17(19)10-13(18-16)11-20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyXUGXHDZLENLSTJ-UHFFFAOYSA-N
XLogP4.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one (CID 22580159) is 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one is Cc1ccc2[nH]c(CSc3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one?
The InChIKey is XUGXHDZLENLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-7-8-16-15(9-12)17(19)10-13(18-16)11-20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one?
6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one has a molecular weight of 281.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(phenylsulfanylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 22580159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).