4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

C12H15BrN2 — CID 84640424

IUPAC4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESBrc1cccc2c1NCC1CCCCN21
InChIInChI=1S/C12H15BrN2/c13-10-5-3-6-11-12(10)14-8-9-4-1-2-7-15(9)11/h3,5-6,9,14H,1-2,4,7-8H2
InChIKeyAOKBGWOQNUJLSB-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.23
Rot. Bonds

About 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline

4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (PubChem CID 84640424) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
PubChem CID84640424
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
SMILESBrc1cccc2c1NCC1CCCCN21
InChIInChI=1S/C12H15BrN2/c13-10-5-3-6-11-12(10)14-8-9-4-1-2-7-15(9)11/h3,5-6,9,14H,1-2,4,7-8H2
InChIKeyAOKBGWOQNUJLSB-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline with MolForge

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Related Compounds

4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxaline
CID 10488339
8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095571
1-(2,3-dibromophenyl)-2-methylpiperidine
CID 118878859
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 140650305
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
CID 82411081
4-cyclopentyl-2,3-dihydro-1H-quinoxaline
CID 71683750
1-cyclopropyl-2,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 83840877
(3aS)-7-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 82404880
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The IUPAC name of 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline (CID 84640424) is 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline.
What is the SMILES notation for 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The canonical SMILES for 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is Brc1cccc2c1NCC1CCCCN21.
What is the InChIKey of 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
The InChIKey is AOKBGWOQNUJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-5-3-6-11-12(10)14-8-9-4-1-2-7-15(9)11/h3,5-6,9,14H,1-2,4,7-8H2.
What are the key properties of 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline?
4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline has a molecular weight of 267.17 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline is sourced from PubChem (CID 84640424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).