2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile

C19H16N4O2 — CID 123852962

IUPAC2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile
SMILESCOc1ccc(/N=N/C(C#N)c2ccc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H16N4O2/c1-24-14-8-10-17(19(11-14)25-2)22-23-18(12-20)16-9-7-13-5-3-4-6-15(13)21-16/h3-11,18H,1-2H3/b23-22+
InChIKeyOUKYDMDGJYYVAF-GHVJWSGMSA-N
MW332.36 g/mol
LogP4.60
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile

2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile (PubChem CID 123852962) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile
PubChem CID123852962
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile
SMILESCOc1ccc(/N=N/C(C#N)c2ccc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H16N4O2/c1-24-14-8-10-17(19(11-14)25-2)22-23-18(12-20)16-9-7-13-5-3-4-6-15(13)21-16/h3-11,18H,1-2H3/b23-22+
InChIKeyOUKYDMDGJYYVAF-GHVJWSGMSA-N
XLogP4.60
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile 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 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile (CID 123852962) is 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile is COc1ccc(/N=N/C(C#N)c2ccc3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile?
The InChIKey is OUKYDMDGJYYVAF-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-14-8-10-17(19(11-14)25-2)22-23-18(12-20)16-9-7-13-5-3-4-6-15(13)21-16/h3-11,18H,1-2H3/b23-22+.
What are the key properties of 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile?
2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile has a molecular weight of 332.36 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile is sourced from PubChem (CID 123852962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).