2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline

C18H14ClNO — CID 7210372

IUPAC2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(/C=C/c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H14ClNO/c1-21-17-7-3-5-14-9-11-16(20-18(14)17)10-8-13-4-2-6-15(19)12-13/h2-12H,1H3/b10-8+
InChIKeyAOCBGPAPXZLOAI-CSKARUKUSA-N
MW295.77 g/mol
LogP5.07
Rot. Bonds3

About 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline

2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline (PubChem CID 7210372) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline.

Molecular Properties

Compound Name2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
PubChem CID7210372
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(/C=C/c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H14ClNO/c1-21-17-7-3-5-14-9-11-16(20-18(14)17)10-8-13-4-2-6-15(19)12-13/h2-12H,1H3/b10-8+
InChIKeyAOCBGPAPXZLOAI-CSKARUKUSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
CID 2949244
2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917
[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
1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
CID 92929794
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
CID 18284055
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
[4-[2-[8-[(4-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]-2-iodo-6-methoxyphenyl] acetate
CID 3540114
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline?
The IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline (CID 7210372) is 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline.
What is the SMILES notation for 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline?
The canonical SMILES for 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline is COc1cccc2ccc(/C=C/c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline?
The InChIKey is AOCBGPAPXZLOAI-CSKARUKUSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-21-17-7-3-5-14-9-11-16(20-18(14)17)10-8-13-4-2-6-15(19)12-13/h2-12H,1H3/b10-8+.
What are the key properties of 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline?
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline has a molecular weight of 295.77 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline is sourced from PubChem (CID 7210372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).