2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile

C13H7ClN4O2 — CID 2106603

IUPAC2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile
SMILESN#CC(C#N)c1nc2cc3c(cc2nc1Cl)OCCO3
InChIInChI=1S/C13H7ClN4O2/c14-13-12(7(5-15)6-16)17-8-3-10-11(4-9(8)18-13)20-2-1-19-10/h3-4,7H,1-2H2
InChIKeyKGBZPSYTIMDQKI-UHFFFAOYSA-N
MW286.68 g/mol
LogP2.19
Rot. Bonds1

About 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile

2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile (PubChem CID 2106603) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile.

Molecular Properties

Compound Name2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile
PubChem CID2106603
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Name2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile
SMILESN#CC(C#N)c1nc2cc3c(cc2nc1Cl)OCCO3
InChIInChI=1S/C13H7ClN4O2/c14-13-12(7(5-15)6-16)17-8-3-10-11(4-9(8)18-13)20-2-1-19-10/h3-4,7H,1-2H2
InChIKeyKGBZPSYTIMDQKI-UHFFFAOYSA-N
XLogP2.19
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile?
The IUPAC name of 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile (CID 2106603) is 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile.
What is the SMILES notation for 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile?
The canonical SMILES for 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile is N#CC(C#N)c1nc2cc3c(cc2nc1Cl)OCCO3.
What is the InChIKey of 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile?
The InChIKey is KGBZPSYTIMDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c14-13-12(7(5-15)6-16)17-8-3-10-11(4-9(8)18-13)20-2-1-19-10/h3-4,7H,1-2H2.
What are the key properties of 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile?
2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile has a molecular weight of 286.68 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile is sourced from PubChem (CID 2106603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).