2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile

C20H15FN2O4 — CID 163627379

IUPAC2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile
SMILESCc1ccc(Oc2ccnc3cc(OCC#N)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C20H15FN2O4/c1-12-2-3-15(13(21)10-12)27-16-4-6-23-14-11-17(24-7-5-22)19-20(18(14)16)26-9-8-25-19/h2-4,6,10-11H,7-9H2,1H3
InChIKeyHTDYISRZEUTRTL-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.15
Rot. Bonds4

About 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile

2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile (PubChem CID 163627379) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile
PubChem CID163627379
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile
SMILESCc1ccc(Oc2ccnc3cc(OCC#N)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C20H15FN2O4/c1-12-2-3-15(13(21)10-12)27-16-4-6-23-14-11-17(24-7-5-22)19-20(18(14)16)26-9-8-25-19/h2-4,6,10-11H,7-9H2,1H3
InChIKeyHTDYISRZEUTRTL-UHFFFAOYSA-N
XLogP4.15
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile?
The IUPAC name of 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile (CID 163627379) is 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile is Cc1ccc(Oc2ccnc3cc(OCC#N)c4c(c23)OCCO4)c(F)c1.
What is the InChIKey of 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile?
The InChIKey is HTDYISRZEUTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-12-2-3-15(13(21)10-12)27-16-4-6-23-14-11-17(24-7-5-22)19-20(18(14)16)26-9-8-25-19/h2-4,6,10-11H,7-9H2,1H3.
What are the key properties of 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile?
2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile has a molecular weight of 366.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile is sourced from PubChem (CID 163627379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).