2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine

C16H17N5S — CID 123640508

IUPAC2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
SMILESCSc1ccc2nccc(Nc3ccc(N)c(NN)c3)c2c1
InChIInChI=1S/C16H17N5S/c1-22-11-3-5-14-12(9-11)15(6-7-19-14)20-10-2-4-13(17)16(8-10)21-18/h2-9,21H,17-18H2,1H3,(H,19,20)
InChIKeyOIXOQWLCFFTZHC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.57
Rot. Bonds4

About 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine

2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine (PubChem CID 123640508) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
PubChem CID123640508
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
SMILESCSc1ccc2nccc(Nc3ccc(N)c(NN)c3)c2c1
InChIInChI=1S/C16H17N5S/c1-22-11-3-5-14-12(9-11)15(6-7-19-14)20-10-2-4-13(17)16(8-10)21-18/h2-9,21H,17-18H2,1H3,(H,19,20)
InChIKeyOIXOQWLCFFTZHC-UHFFFAOYSA-N
XLogP3.57
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine (CID 123640508) is 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine is CSc1ccc2nccc(Nc3ccc(N)c(NN)c3)c2c1.
What is the InChIKey of 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine?
The InChIKey is OIXOQWLCFFTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-22-11-3-5-14-12(9-11)15(6-7-19-14)20-10-2-4-13(17)16(8-10)21-18/h2-9,21H,17-18H2,1H3,(H,19,20).
What are the key properties of 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine?
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine has a molecular weight of 311.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 123640508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).