2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline

C26H23NO3 — CID 11839791

IUPAC2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
SMILESCOc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C26H23NO3/c1-28-23-16-13-20(25(17-23)29-2)11-14-22-15-12-21-9-6-10-24(26(21)27-22)30-18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3/b14-11+
InChIKeyZDPKKTFLLASKFW-SDNWHVSQSA-N
MW397.47 g/mol
LogP6.00
Rot. Bonds7

About 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline

2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline (PubChem CID 11839791) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
PubChem CID11839791
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
SMILESCOc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C26H23NO3/c1-28-23-16-13-20(25(17-23)29-2)11-14-22-15-12-21-9-6-10-24(26(21)27-22)30-18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3/b14-11+
InChIKeyZDPKKTFLLASKFW-SDNWHVSQSA-N
XLogP6.00
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
CID 68678166
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
CID 9447543
2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
CID 19590683
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline?
The IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline (CID 11839791) is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline.
What is the SMILES notation for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline?
The canonical SMILES for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline is COc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c(OC)c1.
What is the InChIKey of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline?
The InChIKey is ZDPKKTFLLASKFW-SDNWHVSQSA-N. The full InChI is InChI=1S/C26H23NO3/c1-28-23-16-13-20(25(17-23)29-2)11-14-22-15-12-21-9-6-10-24(26(21)27-22)30-18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3/b14-11+.
What are the key properties of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline?
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline has a molecular weight of 397.47 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline is sourced from PubChem (CID 11839791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).