(8-methylquinolin-5-yl)-phenyldiazene

C16H13N3 — CID 58482903

IUPAC(8-methylquinolin-5-yl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)c2cccnc12
InChIInChI=1S/C16H13N3/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13/h2-11H,1H3/b19-18+
InChIKeyIUKLGXGIFFYBCP-VHEBQXMUSA-N
MW247.30 g/mol
LogP4.96
Rot. Bonds2

About (8-methylquinolin-5-yl)-phenyldiazene

(8-methylquinolin-5-yl)-phenyldiazene (PubChem CID 58482903) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is (8-methylquinolin-5-yl)-phenyldiazene.

Molecular Properties

Compound Name(8-methylquinolin-5-yl)-phenyldiazene
PubChem CID58482903
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name(8-methylquinolin-5-yl)-phenyldiazene
SMILESCc1ccc(/N=N/c2ccccc2)c2cccnc12
InChIInChI=1S/C16H13N3/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13/h2-11H,1H3/b19-18+
InChIKeyIUKLGXGIFFYBCP-VHEBQXMUSA-N
XLogP4.96
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
CID 135404716
5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
CID 136791378
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate
CID 20796077
2,6-dimethyl-3-phenyldiazenylphenol
CID 90731242
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
bis(8-hydroxy-5-[(4-methylphenyl)diazenyl]quinoline-7-carbaldehyde);nickel
CID 135545236

Frequently Asked Questions

What is the IUPAC name of (8-methylquinolin-5-yl)-phenyldiazene?
The IUPAC name of (8-methylquinolin-5-yl)-phenyldiazene (CID 58482903) is (8-methylquinolin-5-yl)-phenyldiazene.
What is the SMILES notation for (8-methylquinolin-5-yl)-phenyldiazene?
The canonical SMILES for (8-methylquinolin-5-yl)-phenyldiazene is Cc1ccc(/N=N/c2ccccc2)c2cccnc12.
What is the InChIKey of (8-methylquinolin-5-yl)-phenyldiazene?
The InChIKey is IUKLGXGIFFYBCP-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-9-10-15(14-8-5-11-17-16(12)14)19-18-13-6-3-2-4-7-13/h2-11H,1H3/b19-18+.
What are the key properties of (8-methylquinolin-5-yl)-phenyldiazene?
(8-methylquinolin-5-yl)-phenyldiazene has a molecular weight of 247.30 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylquinolin-5-yl)-phenyldiazene is sourced from PubChem (CID 58482903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).