[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate

C27H23NO4 — CID 5055101

IUPAC[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
SMILESCOc1ccc(C=Cc2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O
InChIInChI=1S/C27H23NO4/c1-19(29)32-26-17-20(12-16-24(26)30-2)11-14-23-15-13-22-9-6-10-25(27(22)28-23)31-18-21-7-4-3-5-8-21/h3-17H,18H2,1-2H3
InChIKeyDGMFNWGNFOKJKD-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.92
Rot. Bonds7

About [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate

[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate (PubChem CID 5055101) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
PubChem CID5055101
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
SMILESCOc1ccc(C=Cc2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O
InChIInChI=1S/C27H23NO4/c1-19(29)32-26-17-20(12-16-24(26)30-2)11-14-23-15-13-22-9-6-10-25(27(22)28-23)31-18-21-7-4-3-5-8-21/h3-17H,18H2,1-2H3
InChIKeyDGMFNWGNFOKJKD-UHFFFAOYSA-N
XLogP5.92
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-2-(3-acetyloxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135843
[4-[2-[8-[(4-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]-2-iodo-6-methoxyphenyl] acetate
CID 3540114
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
CID 68678166
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
CID 11839791
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate
CID 6019443
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate?
The IUPAC name of [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate (CID 5055101) is [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate is COc1ccc(C=Cc2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O.
What is the InChIKey of [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate?
The InChIKey is DGMFNWGNFOKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-19(29)32-26-17-20(12-16-24(26)30-2)11-14-23-15-13-22-9-6-10-25(27(22)28-23)31-18-21-7-4-3-5-8-21/h3-17H,18H2,1-2H3.
What are the key properties of [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate?
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate has a molecular weight of 425.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate is sourced from PubChem (CID 5055101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).