[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate

C22H19NO5 — CID 7135840

IUPAC[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
SMILESCOc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC(C)=O
InChIInChI=1S/C22H19NO5/c1-14(24)27-19-8-4-6-16-10-12-18(23-21(16)19)13-11-17-7-5-9-20(26-3)22(17)28-15(2)25/h4-13H,1-3H3/b13-11+
InChIKeyYHJDTGAZNQFBTN-ACCUITESSA-N
MW377.40 g/mol
LogP4.26
Rot. Bonds5

About [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate

[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate (PubChem CID 7135840) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
PubChem CID7135840
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
SMILESCOc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC(C)=O
InChIInChI=1S/C22H19NO5/c1-14(24)27-19-8-4-6-16-10-12-18(23-21(16)19)13-11-17-7-5-9-20(26-3)22(17)28-15(2)25/h4-13H,1-3H3/b13-11+
InChIKeyYHJDTGAZNQFBTN-ACCUITESSA-N
XLogP4.26
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-acetyloxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135843
[2-bromo-4-chloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949467
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate
CID 141155048
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
[2-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-yl] acetate iodide
CID 54612106
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate?
The IUPAC name of [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate (CID 7135840) is [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate.
What is the SMILES notation for [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate?
The canonical SMILES for [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate is COc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC(C)=O.
What is the InChIKey of [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate?
The InChIKey is YHJDTGAZNQFBTN-ACCUITESSA-N. The full InChI is InChI=1S/C22H19NO5/c1-14(24)27-19-8-4-6-16-10-12-18(23-21(16)19)13-11-17-7-5-9-20(26-3)22(17)28-15(2)25/h4-13H,1-3H3/b13-11+.
What are the key properties of [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate?
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate has a molecular weight of 377.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate is sourced from PubChem (CID 7135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).