2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate

C22H18NO4- — CID 8020196

IUPAC2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESC=CCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1OC
InChIInChI=1S/C22H19NO4/c1-3-12-27-20-11-9-15(13-21(20)26-2)8-10-16-14-18(22(24)25)17-6-4-5-7-19(17)23-16/h3-11,13-14H,1,12H2,2H3,(H,24,25)/p-1/b10-8+
InChIKeyFYNQHNNYJFMOKG-CSKARUKUSA-M
MW360.39 g/mol
LogP3.34
Rot. Bonds7

About 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate

2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 8020196) has the molecular formula C22H18NO4- and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
PubChem CID8020196
Molecular FormulaC22H18NO4-
Molecular Weight360.39 g/mol
Exact Mass360.12
IUPAC Name2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
SMILESC=CCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1OC
InChIInChI=1S/C22H19NO4/c1-3-12-27-20-11-9-15(13-21(20)26-2)8-10-16-14-18(22(24)25)17-6-4-5-7-19(17)23-16/h3-11,13-14H,1,12H2,2H3,(H,24,25)/p-1/b10-8+
InChIKeyFYNQHNNYJFMOKG-CSKARUKUSA-M
XLogP3.34
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate 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

2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971613
2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7963022
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971530
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 9035122
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]sulfanylacetate
CID 9035959

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate (CID 8020196) is 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate is C=CCOc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is FYNQHNNYJFMOKG-CSKARUKUSA-M. The full InChI is InChI=1S/C22H19NO4/c1-3-12-27-20-11-9-15(13-21(20)26-2)8-10-16-14-18(22(24)25)17-6-4-5-7-19(17)23-16/h3-11,13-14H,1,12H2,2H3,(H,24,25)/p-1/b10-8+.
What are the key properties of 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 8020196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).