[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate

C26H19Cl2NO3 — CID 6019443

IUPAC[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OCc3ccccc3Cl)c2n1
InChIInChI=1S/C26H19Cl2NO3/c1-17(30)32-24-14-11-21(27)15-19(24)10-13-22-12-9-18-6-4-8-25(26(18)29-22)31-16-20-5-2-3-7-23(20)28/h2-15H,16H2,1H3/b13-10+
InChIKeyMYBCJVPZQVQURQ-JLHYYAGUSA-N
MW464.35 g/mol
LogP7.22
Rot. Bonds6

About [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate

[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate (PubChem CID 6019443) has the molecular formula C26H19Cl2NO3 and a molecular weight of 464.35 g/mol. Its IUPAC name is [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate
PubChem CID6019443
Molecular FormulaC26H19Cl2NO3
Molecular Weight464.35 g/mol
Exact Mass463.07
IUPAC Name[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OCc3ccccc3Cl)c2n1
InChIInChI=1S/C26H19Cl2NO3/c1-17(30)32-24-14-11-21(27)15-19(24)10-13-22-12-9-18-6-4-8-25(26(18)29-22)31-16-20-5-2-3-7-23(20)28/h2-15H,16H2,1H3/b13-10+
InChIKeyMYBCJVPZQVQURQ-JLHYYAGUSA-N
XLogP7.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,4-dichloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949472
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
[2-bromo-4-chloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949467
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2-[2-(4-acetyloxyquinolin-2-yl)ethenyl]-4-chlorophenyl] acetate
CID 2961401
[4-[2-[8-[(4-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]-2-iodo-6-methoxyphenyl] acetate
CID 3540114
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
[2-[(E)-2-(3-acetyloxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135843
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
[2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorophenyl] acetate
CID 124566459
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate?
The IUPAC name of [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate (CID 6019443) is [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate is CC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OCc3ccccc3Cl)c2n1.
What is the InChIKey of [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate?
The InChIKey is MYBCJVPZQVQURQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H19Cl2NO3/c1-17(30)32-24-14-11-21(27)15-19(24)10-13-22-12-9-18-6-4-8-25(26(18)29-22)31-16-20-5-2-3-7-23(20)28/h2-15H,16H2,1H3/b13-10+.
What are the key properties of [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate?
[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate has a molecular weight of 464.35 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate is sourced from PubChem (CID 6019443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).