[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine

C18H18N2S — CID 43669535

IUPAC[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCc1ccc(Sc2c(CN)cnc3ccccc23)cc1C
InChIInChI=1S/C18H18N2S/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,10,19H2,1-2H3
InChIKeyJQIDHLROHJWJFU-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.46
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine

[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine (PubChem CID 43669535) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine
PubChem CID43669535
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine
SMILESCc1ccc(Sc2c(CN)cnc3ccccc23)cc1C
InChIInChI=1S/C18H18N2S/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,10,19H2,1-2H3
InChIKeyJQIDHLROHJWJFU-UHFFFAOYSA-N
XLogP4.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine 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-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine (CID 43669535) is [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine is Cc1ccc(Sc2c(CN)cnc3ccccc23)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine?
The InChIKey is JQIDHLROHJWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-7-8-15(9-13(12)2)21-18-14(10-19)11-20-17-6-4-3-5-16(17)18/h3-9,11H,10,19H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine?
[4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfanylquinolin-3-yl]methanamine is sourced from PubChem (CID 43669535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).