2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile

C17H12ClN3O2 — CID 10592179

IUPAC2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C17H12ClN3O2/c1-11(9-19)22-13-3-5-14(6-4-13)23-17-10-20-15-7-2-12(18)8-16(15)21-17/h2-8,10-11H,1H3
InChIKeyXBAPUWXHCIYKLY-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile

2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile (PubChem CID 10592179) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile.

Molecular Properties

Compound Name2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
PubChem CID10592179
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
SMILESCC(C#N)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C17H12ClN3O2/c1-11(9-19)22-13-3-5-14(6-4-13)23-17-10-20-15-7-2-12(18)8-16(15)21-17/h2-8,10-11H,1H3
InChIKeyXBAPUWXHCIYKLY-UHFFFAOYSA-N
XLogP4.37
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile?
The IUPAC name of 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile (CID 10592179) is 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile.
What is the SMILES notation for 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile?
The canonical SMILES for 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile is CC(C#N)Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile?
The InChIKey is XBAPUWXHCIYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-11(9-19)22-13-3-5-14(6-4-13)23-17-10-20-15-7-2-12(18)8-16(15)21-17/h2-8,10-11H,1H3.
What are the key properties of 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile?
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile has a molecular weight of 325.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile is sourced from PubChem (CID 10592179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).