8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol

C17H15N3O — CID 136661697

IUPAC8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol
SMILESCc1cc(C)cc(/N=N/c2ccc(O)c3ccncc23)c1
InChIInChI=1S/C17H15N3O/c1-11-7-12(2)9-13(8-11)19-20-16-3-4-17(21)14-5-6-18-10-15(14)16/h3-10,21H,1-2H3/b20-19+
InChIKeyLNMXUUMQAGSCKC-FMQUCBEESA-N
MW277.33 g/mol
LogP4.97
Rot. Bonds2

About 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol

8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol (PubChem CID 136661697) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol.

Molecular Properties

Compound Name8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol
PubChem CID136661697
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol
SMILESCc1cc(C)cc(/N=N/c2ccc(O)c3ccncc23)c1
InChIInChI=1S/C17H15N3O/c1-11-7-12(2)9-13(8-11)19-20-16-3-4-17(21)14-5-6-18-10-15(14)16/h3-10,21H,1-2H3/b20-19+
InChIKeyLNMXUUMQAGSCKC-FMQUCBEESA-N
XLogP4.97
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
CID 136662732
5-nitrosoisoquinolin-8-ol
CID 135798744
2-methyl-4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 177490373
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
bis(3-methyl-4-pyridinyl)diazene
CID 13430055
5-(hydroxymethyl)isoquinolin-8-ol
CID 136965992
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
1,3-bis(3,5-dimethylphenyl)thieno[3,4-f][2,9]phenanthroline
CID 118118636
5-butylisoquinolin-8-ol
CID 137082898
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol?
The IUPAC name of 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol (CID 136661697) is 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol.
What is the SMILES notation for 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol?
The canonical SMILES for 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol is Cc1cc(C)cc(/N=N/c2ccc(O)c3ccncc23)c1.
What is the InChIKey of 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol?
The InChIKey is LNMXUUMQAGSCKC-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-7-12(2)9-13(8-11)19-20-16-3-4-17(21)14-5-6-18-10-15(14)16/h3-10,21H,1-2H3/b20-19+.
What are the key properties of 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol?
8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol has a molecular weight of 277.33 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethylphenyl)diazenyl]isoquinolin-5-ol is sourced from PubChem (CID 136661697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).