2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline

C19H14ClNO3 — CID 92929794

IUPAC2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(/C=C\c3cc4c(cc3Cl)OCO4)nc12
InChIInChI=1S/C19H14ClNO3/c1-22-16-4-2-3-12-5-7-14(21-19(12)16)8-6-13-9-17-18(10-15(13)20)24-11-23-17/h2-10H,11H2,1H3/b8-6-
InChIKeyAFNTZUNUMWMINB-VURMDHGXSA-N
MW339.78 g/mol
LogP4.80
Rot. Bonds3

About 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline

2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline (PubChem CID 92929794) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline.

Molecular Properties

Compound Name2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
PubChem CID92929794
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(/C=C\c3cc4c(cc3Cl)OCO4)nc12
InChIInChI=1S/C19H14ClNO3/c1-22-16-4-2-3-12-5-7-14(21-19(12)16)8-6-13-9-17-18(10-15(13)20)24-11-23-17/h2-10H,11H2,1H3/b8-6-
InChIKeyAFNTZUNUMWMINB-VURMDHGXSA-N
XLogP4.80
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline?
The IUPAC name of 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline (CID 92929794) is 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline.
What is the SMILES notation for 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline?
The canonical SMILES for 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline is COc1cccc2ccc(/C=C\c3cc4c(cc3Cl)OCO4)nc12.
What is the InChIKey of 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline?
The InChIKey is AFNTZUNUMWMINB-VURMDHGXSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-22-16-4-2-3-12-5-7-14(21-19(12)16)8-6-13-9-17-18(10-15(13)20)24-11-23-17/h2-10H,11H2,1H3/b8-6-.
What are the key properties of 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline?
2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline has a molecular weight of 339.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-8-methoxyquinoline is sourced from PubChem (CID 92929794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).