3-(quinolin-8-yldiazenyl)-1H-indol-2-ol

C17H12N4O — CID 4241264

IUPAC3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1cccc2cccnc12
InChIInChI=1S/C17H12N4O/c22-17-16(12-7-1-2-8-13(12)19-17)21-20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,19,22H/b21-20+
InChIKeyVSQBBBTWYZHZGE-QZQOTICOSA-N
MW288.31 g/mol
LogP4.84
Rot. Bonds2

About 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol

3-(quinolin-8-yldiazenyl)-1H-indol-2-ol (PubChem CID 4241264) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
PubChem CID4241264
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1cccc2cccnc12
InChIInChI=1S/C17H12N4O/c22-17-16(12-7-1-2-8-13(12)19-17)21-20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,19,22H/b21-20+
InChIKeyVSQBBBTWYZHZGE-QZQOTICOSA-N
XLogP4.84
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.84
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol?
The IUPAC name of 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol (CID 4241264) is 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol?
The canonical SMILES for 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol?
The InChIKey is VSQBBBTWYZHZGE-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-16(12-7-1-2-8-13(12)19-17)21-20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,19,22H/b21-20+.
What are the key properties of 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol?
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol has a molecular weight of 288.31 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-yldiazenyl)-1H-indol-2-ol is sourced from PubChem (CID 4241264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).