(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline

C16H30N4 — CID 15423024

IUPAC(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline
SMILESCC12N[C@H]3CCCC[C@@H]3NC1(C)N[C@@H]1CCCC[C@H]1N2
InChIInChI=1S/C16H30N4/c1-15-16(2,19-13-9-5-3-7-11(13)17-15)20-14-10-6-4-8-12(14)18-15/h11-14,17-20H,3-10H2,1-2H3/t11-,12+,13-,14+,15?,16?
InChIKeyGQJJAIQIZHKNMV-WYUYUUCSSA-N
MW278.44 g/mol
LogP1.43
Rot. Bonds

About (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline

(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline (PubChem CID 15423024) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline.

Molecular Properties

Compound Name(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline
PubChem CID15423024
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline
SMILESCC12N[C@H]3CCCC[C@@H]3NC1(C)N[C@@H]1CCCC[C@H]1N2
InChIInChI=1S/C16H30N4/c1-15-16(2,19-13-9-5-3-7-11(13)17-15)20-14-10-6-4-8-12(14)18-15/h11-14,17-20H,3-10H2,1-2H3/t11-,12+,13-,14+,15?,16?
InChIKeyGQJJAIQIZHKNMV-WYUYUUCSSA-N
XLogP1.43
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline with MolForge

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Related Compounds

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CID 118258290
3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 66800483
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CID 43366931
(1R,6S)-7-azabicyclo[4.1.0]heptane
CID 637980
spiro[2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-3,1'-cyclopentane]
CID 66800407
(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 102313628
(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 53487321
(4aR,8aS)-3-hexyl-3-methyl-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 12886761
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
(4aR,8aS)-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;sulfane
CID 159381950
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979

Frequently Asked Questions

What is the IUPAC name of (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline?
The IUPAC name of (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline (CID 15423024) is (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline.
What is the SMILES notation for (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline?
The canonical SMILES for (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline is CC12N[C@H]3CCCC[C@@H]3NC1(C)N[C@@H]1CCCC[C@H]1N2.
What is the InChIKey of (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline?
The InChIKey is GQJJAIQIZHKNMV-WYUYUUCSSA-N. The full InChI is InChI=1S/C16H30N4/c1-15-16(2,19-13-9-5-3-7-11(13)17-15)20-14-10-6-4-8-12(14)18-15/h11-14,17-20H,3-10H2,1-2H3/t11-,12+,13-,14+,15?,16?.
What are the key properties of (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline?
(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline has a molecular weight of 278.44 g/mol, XLogP of 1.43, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline is sourced from PubChem (CID 15423024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).