ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate

C28H25NO4 — CID 93012870

IUPACethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C\c1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C28H25NO4/c1-2-31-27(30)20-33-25-13-7-6-11-22(25)15-17-24-18-16-23-12-8-14-26(28(23)29-24)32-19-21-9-4-3-5-10-21/h3-18H,2,19-20H2,1H3/b17-15-
InChIKeyHBPVJNOSTHINLM-ICFOKQHNSA-N
MW439.51 g/mol
LogP5.93
Rot. Bonds9

About ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate

ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate (PubChem CID 93012870) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
PubChem CID93012870
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Nameethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C\c1ccc2cccc(OCc3ccccc3)c2n1
InChIInChI=1S/C28H25NO4/c1-2-31-27(30)20-33-25-13-7-6-11-22(25)15-17-24-18-16-23-12-8-14-26(28(23)29-24)32-19-21-9-4-3-5-10-21/h3-18H,2,19-20H2,1H3/b17-15-
InChIKeyHBPVJNOSTHINLM-ICFOKQHNSA-N
XLogP5.93
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate 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-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
CID 68678166
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
CID 11839791
ethyl 6-[2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
CID 54067715
ethyl 6-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]pyridazine-3-carboxylate
CID 18974104
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
CID 6214122
2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]quinolin-8-ol
CID 24628167
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
CID 19590683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate (CID 93012870) is ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate is CCOC(=O)COc1ccccc1/C=C\c1ccc2cccc(OCc3ccccc3)c2n1.
What is the InChIKey of ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate?
The InChIKey is HBPVJNOSTHINLM-ICFOKQHNSA-N. The full InChI is InChI=1S/C28H25NO4/c1-2-31-27(30)20-33-25-13-7-6-11-22(25)15-17-24-18-16-23-12-8-14-26(28(23)29-24)32-19-21-9-4-3-5-10-21/h3-18H,2,19-20H2,1H3/b17-15-.
What are the key properties of ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate?
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate has a molecular weight of 439.51 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate is sourced from PubChem (CID 93012870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).