3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene

C15H15N3 — CID 134983718

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene
SMILESc1ccc(/N=N/N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H15N3/c1-2-8-15(9-3-1)16-17-18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2/b17-16+
InChIKeyXLPUBJPEFXRXKE-WUKNDPDISA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene

3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene (PubChem CID 134983718) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene
PubChem CID134983718
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene
SMILESc1ccc(/N=N/N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H15N3/c1-2-8-15(9-3-1)16-17-18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2/b17-16+
InChIKeyXLPUBJPEFXRXKE-WUKNDPDISA-N
XLogP3.74
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene (CID 134983718) is 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene is c1ccc(/N=N/N2CCc3ccccc3C2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene?
The InChIKey is XLPUBJPEFXRXKE-WUKNDPDISA-N. The full InChI is InChI=1S/C15H15N3/c1-2-8-15(9-3-1)16-17-18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2/b17-16+.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene?
3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene has a molecular weight of 237.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene is sourced from PubChem (CID 134983718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).