4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

C20H19NO3 — CID 5351198

IUPAC4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+
InChIKeyXPYLMRIXEKTASO-CMDGGOBGSA-N
MW321.38 g/mol
LogP4.43
Rot. Bonds5

About 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline (PubChem CID 5351198) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
PubChem CID5351198
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+
InChIKeyXPYLMRIXEKTASO-CMDGGOBGSA-N
XLogP4.43
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Palmatine Chloride
CID 73442
Octaverine
CID 68363
alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-1-isoquinolinemethanol
CID 275192
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline (CID 5351198) is 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline is COc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12.
What is the InChIKey of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The InChIKey is XPYLMRIXEKTASO-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+.
What are the key properties of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline has a molecular weight of 321.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 5351198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).