2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline

C20H18ClNO3 — CID 2949244

IUPAC2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
SMILESCOc1cc(C=Cc2ccc3cccc(OC)c3n2)cc(Cl)c1OC
InChIInChI=1S/C20H18ClNO3/c1-23-17-6-4-5-14-8-10-15(22-19(14)17)9-7-13-11-16(21)20(25-3)18(12-13)24-2/h4-12H,1-3H3
InChIKeyYYXVSELGSNKKDZ-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.08
Rot. Bonds5

About 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline

2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline (PubChem CID 2949244) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline.

Molecular Properties

Compound Name2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
PubChem CID2949244
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
SMILESCOc1cc(C=Cc2ccc3cccc(OC)c3n2)cc(Cl)c1OC
InChIInChI=1S/C20H18ClNO3/c1-23-17-6-4-5-14-8-10-15(22-19(14)17)9-7-13-11-16(21)20(25-3)18(12-13)24-2/h4-12H,1-3H3
InChIKeyYYXVSELGSNKKDZ-UHFFFAOYSA-N
XLogP5.08
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4820170
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
CID 7210372
7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
CID 18230825
[2,4-dichloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949472
2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
CID 92929794
[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
[4-[2-[8-[(4-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]-2-iodo-6-methoxyphenyl] acetate
CID 3540114
3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine
CID 14963383
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
3-(3-chloro-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 5042284
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline?
The IUPAC name of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline (CID 2949244) is 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline.
What is the SMILES notation for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline?
The canonical SMILES for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline is COc1cc(C=Cc2ccc3cccc(OC)c3n2)cc(Cl)c1OC.
What is the InChIKey of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline?
The InChIKey is YYXVSELGSNKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-23-17-6-4-5-14-8-10-15(22-19(14)17)9-7-13-11-16(21)20(25-3)18(12-13)24-2/h4-12H,1-3H3.
What are the key properties of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline?
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline has a molecular weight of 355.82 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline is sourced from PubChem (CID 2949244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).