4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline

C16H16N2O2 — CID 117006773

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O2/c1-2-4-14-13(3-1)17-7-8-18(14)12-5-6-15-16(11-12)20-10-9-19-15/h1-6,11,17H,7-10H2
InChIKeyMBCNJDQPZVLZBI-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.02
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006773) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006773
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)NCCN2c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O2/c1-2-4-14-13(3-1)17-7-8-18(14)12-5-6-15-16(11-12)20-10-9-19-15/h1-6,11,17H,7-10H2
InChIKeyMBCNJDQPZVLZBI-UHFFFAOYSA-N
XLogP3.02
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006745
4-(4-ethoxyphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006758
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
CID 117005141
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-2-one
CID 115370868
6-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-1,6-benzodiazocine
CID 117015772
4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006770
1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
CID 115370915
7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006928
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzene-1,2-diamine
CID 106751101
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
CID 54966801
4-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-quinoxaline
CID 170439465

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline (CID 117006773) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline is c1ccc2c(c1)NCCN2c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is MBCNJDQPZVLZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-4-14-13(3-1)17-7-8-18(14)12-5-6-15-16(11-12)20-10-9-19-15/h1-6,11,17H,7-10H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 268.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).