(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile

C20H16N2O2 — CID 175253385

IUPAC(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile
SMILESCOc1ccc(-c2cc(/C=C\C#N)c3ccccc3n2)cc1OC
InChIInChI=1S/C20H16N2O2/c1-23-19-10-9-15(13-20(19)24-2)18-12-14(6-5-11-21)16-7-3-4-8-17(16)22-18/h3-10,12-13H,1-2H3/b6-5-
InChIKeyMMZWJQZEOIZVKP-WAYWQWQTSA-N
MW316.36 g/mol
LogP4.46
Rot. Bonds4

About (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile

(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile (PubChem CID 175253385) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile
PubChem CID175253385
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile
SMILESCOc1ccc(-c2cc(/C=C\C#N)c3ccccc3n2)cc1OC
InChIInChI=1S/C20H16N2O2/c1-23-19-10-9-15(13-20(19)24-2)18-12-14(6-5-11-21)16-7-3-4-8-17(16)22-18/h3-10,12-13H,1-2H3/b6-5-
InChIKeyMMZWJQZEOIZVKP-WAYWQWQTSA-N
XLogP4.46
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile 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 (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile?
The IUPAC name of (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile (CID 175253385) is (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile is COc1ccc(-c2cc(/C=C\C#N)c3ccccc3n2)cc1OC.
What is the InChIKey of (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile?
The InChIKey is MMZWJQZEOIZVKP-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-19-10-9-15(13-20(19)24-2)18-12-14(6-5-11-21)16-7-3-4-8-17(16)22-18/h3-10,12-13H,1-2H3/b6-5-.
What are the key properties of (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile?
(Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile has a molecular weight of 316.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]prop-2-enenitrile is sourced from PubChem (CID 175253385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).