(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile

C20H23N3O3 — CID 11965496

IUPAC(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(N3CCN(C)CC3)o2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-22-8-10-23(11-9-22)20-7-5-17(26-20)12-16(14-21)15-4-6-18(24-2)19(13-15)25-3/h4-7,12-13H,8-11H2,1-3H3/b16-12+
InChIKeyQQFZZDVDDBOKLH-FOWTUZBSSA-N
MW353.42 g/mol
LogP3.11
Rot. Bonds5

About (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile

(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile (PubChem CID 11965496) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile
PubChem CID11965496
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(N3CCN(C)CC3)o2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-22-8-10-23(11-9-22)20-7-5-17(26-20)12-16(14-21)15-4-6-18(24-2)19(13-15)25-3/h4-7,12-13H,8-11H2,1-3H3/b16-12+
InChIKeyQQFZZDVDDBOKLH-FOWTUZBSSA-N
XLogP3.11
TPSA61.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-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

Related Compounds

3-(5-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67228375
2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]prop-2-enenitrile;hydrochloride
CID 67226787
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 21206013
3-[5-(3-aminophenyl)furan-2-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67226971
(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile
CID 6299125
(Z)-2-(4-chlorophenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 1278953
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
sodium (Z)-2-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 23089833
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
(E)-3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 1485312
(E)-2-(3-nitrophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 2219169
2-(3-nitrophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 974329

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile (CID 11965496) is (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile is COc1ccc(/C(C#N)=C/c2ccc(N3CCN(C)CC3)o2)cc1OC.
What is the InChIKey of (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile?
The InChIKey is QQFZZDVDDBOKLH-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-8-10-23(11-9-22)20-7-5-17(26-20)12-16(14-21)15-4-6-18(24-2)19(13-15)25-3/h4-7,12-13H,8-11H2,1-3H3/b16-12+.
What are the key properties of (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile?
(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile has a molecular weight of 353.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 11965496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).