2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol

C18H13NO3 — CID 2896089

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(C=Cc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H13NO3/c20-15-3-1-2-13-6-8-14(19-18(13)15)7-4-12-5-9-16-17(10-12)22-11-21-16/h1-10,20H,11H2
InChIKeyJBRXQRJDXQJFIS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.84
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol

2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol (PubChem CID 2896089) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
PubChem CID2896089
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(C=Cc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H13NO3/c20-15-3-1-2-13-6-8-14(19-18(13)15)7-4-12-5-9-16-17(10-12)22-11-21-16/h1-10,20H,11H2
InChIKeyJBRXQRJDXQJFIS-UHFFFAOYSA-N
XLogP3.84
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 3459413
2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
CID 17139302
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol chloride
CID 135534383
2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol
CID 4995247
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-8-ol
CID 102159828
2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
CID 92929794
2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-methylquinoline
CID 6214979
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol (CID 2896089) is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol is Oc1cccc2ccc(C=Cc3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol?
The InChIKey is JBRXQRJDXQJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-15-3-1-2-13-6-8-14(19-18(13)15)7-4-12-5-9-16-17(10-12)22-11-21-16/h1-10,20H,11H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol?
2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol has a molecular weight of 291.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 2896089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).