(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

C14H14BrN3O2 — CID 175436291

IUPAC(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILESBrc1ccc2nc(N3CC4OCCO[C@@H]4C3)cnc2c1
InChIInChI=1S/C14H14BrN3O2/c15-9-1-2-10-11(5-9)16-6-14(17-10)18-7-12-13(8-18)20-4-3-19-12/h1-2,5-6,12-13H,3-4,7-8H2/t12-,13?/m1/s1
InChIKeyWFQYLYZIKIIGOS-PZORYLMUSA-N
MW336.19 g/mol
LogP2.00
Rot. Bonds1

About (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (PubChem CID 175436291) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.

Molecular Properties

Compound Name(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
PubChem CID175436291
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
SMILESBrc1ccc2nc(N3CC4OCCO[C@@H]4C3)cnc2c1
InChIInChI=1S/C14H14BrN3O2/c15-9-1-2-10-11(5-9)16-6-14(17-10)18-7-12-13(8-18)20-4-3-19-12/h1-2,5-6,12-13H,3-4,7-8H2/t12-,13?/m1/s1
InChIKeyWFQYLYZIKIIGOS-PZORYLMUSA-N
XLogP2.00
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole with MolForge

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Related Compounds

4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
CID 175512014
6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 84599400
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 68506217
4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde
CID 161351769
5-(6-bromoquinoxalin-2-yl)-N-[4-(hydroxycarbamoyl)phenyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 155777017
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518
6-(5-bromo-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364559
[(4aS)-6-(6-bromo-3-chloroquinolin-4-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]phosphane
CID 139341153
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
CID 84584086
1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 68504194
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
CID 175649549

Frequently Asked Questions

What is the IUPAC name of (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The IUPAC name of (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole (CID 175436291) is (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole.
What is the SMILES notation for (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The canonical SMILES for (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is Brc1ccc2nc(N3CC4OCCO[C@@H]4C3)cnc2c1.
What is the InChIKey of (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
The InChIKey is WFQYLYZIKIIGOS-PZORYLMUSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-9-1-2-10-11(5-9)16-6-14(17-10)18-7-12-13(8-18)20-4-3-19-12/h1-2,5-6,12-13H,3-4,7-8H2/t12-,13?/m1/s1.
What are the key properties of (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole?
(4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole has a molecular weight of 336.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-6-(6-bromoquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole is sourced from PubChem (CID 175436291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).