7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline

C14H14FNO2 — CID 86640611

IUPAC7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
SMILESCOc1ccc2ccc(F)c(CCC3CO3)c2n1
InChIInChI=1S/C14H14FNO2/c1-17-13-7-3-9-2-6-12(15)11(14(9)16-13)5-4-10-8-18-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyVTAVHSIACBBOOQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.71
Rot. Bonds4

About 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline

7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline (PubChem CID 86640611) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
PubChem CID86640611
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
SMILESCOc1ccc2ccc(F)c(CCC3CO3)c2n1
InChIInChI=1S/C14H14FNO2/c1-17-13-7-3-9-2-6-12(15)11(14(9)16-13)5-4-10-8-18-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyVTAVHSIACBBOOQ-UHFFFAOYSA-N
XLogP2.71
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline?
The IUPAC name of 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline (CID 86640611) is 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline.
What is the SMILES notation for 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline?
The canonical SMILES for 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline is COc1ccc2ccc(F)c(CCC3CO3)c2n1.
What is the InChIKey of 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline?
The InChIKey is VTAVHSIACBBOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-13-7-3-9-2-6-12(15)11(14(9)16-13)5-4-10-8-18-10/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline?
7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline has a molecular weight of 247.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline is sourced from PubChem (CID 86640611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).