1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol

C19H16N4O — CID 4221416

IUPAC1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol
SMILESCCn1c(O)c(/N=N/c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-2-23-16-10-6-4-8-14(16)18(19(23)24)22-21-17-12-11-13-7-3-5-9-15(13)20-17/h3-12,24H,2H2,1H3/b22-21+
InChIKeyXGWKBJCMGQNSHV-QURGRASLSA-N
MW316.36 g/mol
LogP5.33
Rot. Bonds3

About 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol

1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol (PubChem CID 4221416) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol.

Molecular Properties

Compound Name1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol
PubChem CID4221416
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol
SMILESCCn1c(O)c(/N=N/c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-2-23-16-10-6-4-8-14(16)18(19(23)24)22-21-17-12-11-13-7-3-5-9-15(13)20-17/h3-12,24H,2H2,1H3/b22-21+
InChIKeyXGWKBJCMGQNSHV-QURGRASLSA-N
XLogP5.33
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol?
The IUPAC name of 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol (CID 4221416) is 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol.
What is the SMILES notation for 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol?
The canonical SMILES for 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol is CCn1c(O)c(/N=N/c2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol?
The InChIKey is XGWKBJCMGQNSHV-QURGRASLSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-23-16-10-6-4-8-14(16)18(19(23)24)22-21-17-12-11-13-7-3-5-9-15(13)20-17/h3-12,24H,2H2,1H3/b22-21+.
What are the key properties of 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol?
1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol has a molecular weight of 316.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(quinolin-2-yldiazenyl)indol-2-ol is sourced from PubChem (CID 4221416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).