4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one

C20H16N2OS — CID 864910

IUPAC4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCc1cc(SCc2cc(=O)[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C20H16N2OS/c1-13-10-20(22-17-8-4-2-6-15(13)17)24-12-14-11-19(23)21-18-9-5-3-7-16(14)18/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNKRRXJOLOGPDFT-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.68
Rot. Bonds3

About 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one

4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one (PubChem CID 864910) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
PubChem CID864910
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
SMILESCc1cc(SCc2cc(=O)[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C20H16N2OS/c1-13-10-20(22-17-8-4-2-6-15(13)17)24-12-14-11-19(23)21-18-9-5-3-7-16(14)18/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNKRRXJOLOGPDFT-UHFFFAOYSA-N
XLogP4.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one (CID 864910) is 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one is Cc1cc(SCc2cc(=O)[nH]c3ccccc23)nc2ccccc12.
What is the InChIKey of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
The InChIKey is NKRRXJOLOGPDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-10-20(22-17-8-4-2-6-15(13)17)24-12-14-11-19(23)21-18-9-5-3-7-16(14)18/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one?
4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one has a molecular weight of 332.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 864910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).