5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride

C20H23Cl2NO2 — CID 70016520

IUPAC5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride
SMILESCOc1ccc(C=C2CCCN=C2c2ccccc2)c(OC)c1.Cl.Cl
InChIInChI=1S/C20H21NO2.2ClH/c1-22-18-11-10-16(19(14-18)23-2)13-17-9-6-12-21-20(17)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;2*1H
InChIKeyOAIVQSIGMKGOQL-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.21
Rot. Bonds4

About 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride

5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride (PubChem CID 70016520) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride
PubChem CID70016520
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride
SMILESCOc1ccc(C=C2CCCN=C2c2ccccc2)c(OC)c1.Cl.Cl
InChIInChI=1S/C20H21NO2.2ClH/c1-22-18-11-10-16(19(14-18)23-2)13-17-9-6-12-21-20(17)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;2*1H
InChIKeyOAIVQSIGMKGOQL-UHFFFAOYSA-N
XLogP5.21
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride 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 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride (CID 70016520) is 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride is COc1ccc(C=C2CCCN=C2c2ccccc2)c(OC)c1.Cl.Cl.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride?
The InChIKey is OAIVQSIGMKGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2.2ClH/c1-22-18-11-10-16(19(14-18)23-2)13-17-9-6-12-21-20(17)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;2*1H.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride?
5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride is sourced from PubChem (CID 70016520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).