N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine

C16H13N3O2 — CID 53364100

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine
SMILESc1ccc2nc(Nc3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)17-10-16(19-13)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyHTNFMOMJQUPBLJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.14
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine (PubChem CID 53364100) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine
PubChem CID53364100
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine
SMILESc1ccc2nc(Nc3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)17-10-16(19-13)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)
InChIKeyHTNFMOMJQUPBLJ-UHFFFAOYSA-N
XLogP3.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine (CID 53364100) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine is c1ccc2nc(Nc3ccc4c(c3)OCCO4)cnc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine?
The InChIKey is HTNFMOMJQUPBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)17-10-16(19-13)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine has a molecular weight of 279.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxalin-2-amine is sourced from PubChem (CID 53364100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).