6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline

C19H17FN2O2 — CID 130185255

IUPAC6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3cc(OCCF)ccc3n2)ccn1
InChIInChI=1S/C19H17FN2O2/c1-23-19-12-14(8-10-21-19)2-4-16-5-3-15-13-17(24-11-9-20)6-7-18(15)22-16/h2-8,10,12-13H,9,11H2,1H3/b4-2+
InChIKeyJWXLAQNBMALBOY-DUXPYHPUSA-N
MW324.36 g/mol
LogP4.16
Rot. Bonds6

About 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline

6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline (PubChem CID 130185255) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
PubChem CID130185255
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3cc(OCCF)ccc3n2)ccn1
InChIInChI=1S/C19H17FN2O2/c1-23-19-12-14(8-10-21-19)2-4-16-5-3-15-13-17(24-11-9-20)6-7-18(15)22-16/h2-8,10,12-13H,9,11H2,1H3/b4-2+
InChIKeyJWXLAQNBMALBOY-DUXPYHPUSA-N
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline?
The IUPAC name of 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline (CID 130185255) is 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline.
What is the SMILES notation for 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline?
The canonical SMILES for 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline is COc1cc(/C=C/c2ccc3cc(OCCF)ccc3n2)ccn1.
What is the InChIKey of 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline?
The InChIKey is JWXLAQNBMALBOY-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-23-19-12-14(8-10-21-19)2-4-16-5-3-15-13-17(24-11-9-20)6-7-18(15)22-16/h2-8,10,12-13H,9,11H2,1H3/b4-2+.
What are the key properties of 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline?
6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline has a molecular weight of 324.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline is sourced from PubChem (CID 130185255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).