2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol

C18H11Cl2NO3 — CID 3459413

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=Cc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H11Cl2NO3/c19-13-8-14(20)18(22)17-12(13)5-4-11(21-17)3-1-10-2-6-15-16(7-10)24-9-23-15/h1-8,22H,9H2
InChIKeySSLATJAKRCCSGL-UHFFFAOYSA-N
MW360.20 g/mol
LogP5.15
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol

2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol (PubChem CID 3459413) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
PubChem CID3459413
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=Cc3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C18H11Cl2NO3/c19-13-8-14(20)18(22)17-12(13)5-4-11(21-17)3-1-10-2-6-15-16(7-10)24-9-23-15/h1-8,22H,9H2
InChIKeySSLATJAKRCCSGL-UHFFFAOYSA-N
XLogP5.15
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.20
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 6187033
2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
CID 2896089
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-8-phenylmethoxyquinoline
CID 2895452
(Z)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 51665567
5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732591
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-chloro-7-methoxyquinazoline
CID 139921647
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732605
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol (CID 3459413) is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(C=Cc3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol?
The InChIKey is SSLATJAKRCCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-13-8-14(20)18(22)17-12(13)5-4-11(21-17)3-1-10-2-6-15-16(7-10)24-9-23-15/h1-8,22H,9H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol?
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol has a molecular weight of 360.20 g/mol, XLogP of 5.15, 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]-5,7-dichloroquinolin-8-ol is sourced from PubChem (CID 3459413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).