6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine

C16H15N3S — CID 43809585

IUPAC6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
SMILESCSc1cccc(Nc2ccc3ncccc3c2N)c1
InChIInChI=1S/C16H15N3S/c1-20-12-5-2-4-11(10-12)19-15-8-7-14-13(16(15)17)6-3-9-18-14/h2-10,19H,17H2,1H3
InChIKeyGQKHZGJGCFTNIX-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.28
Rot. Bonds3

About 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine

6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine (PubChem CID 43809585) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
PubChem CID43809585
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
SMILESCSc1cccc(Nc2ccc3ncccc3c2N)c1
InChIInChI=1S/C16H15N3S/c1-20-12-5-2-4-11(10-12)19-15-8-7-14-13(16(15)17)6-3-9-18-14/h2-10,19H,17H2,1H3
InChIKeyGQKHZGJGCFTNIX-UHFFFAOYSA-N
XLogP4.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
CID 107596683
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508
6-N-ethylquinoline-5,6-diamine
CID 43809532
1-N-(3-methylsulfanylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003729
2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
CID 53151377
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine (CID 43809585) is 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine is CSc1cccc(Nc2ccc3ncccc3c2N)c1.
What is the InChIKey of 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine?
The InChIKey is GQKHZGJGCFTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-20-12-5-2-4-11(10-12)19-15-8-7-14-13(16(15)17)6-3-9-18-14/h2-10,19H,17H2,1H3.
What are the key properties of 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine?
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine has a molecular weight of 281.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine is sourced from PubChem (CID 43809585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).