(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline

C20H24N2O — CID 155510816

IUPAC(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline
SMILESCOc1ccc2c(c1)[C@@]1(C)Cc3nccnc3C(C)(C)C1CC2
InChIInChI=1S/C20H24N2O/c1-19(2)17-8-6-13-5-7-14(23-4)11-15(13)20(17,3)12-16-18(19)22-10-9-21-16/h5,7,9-11,17H,6,8,12H2,1-4H3/t17?,20-/m1/s1
InChIKeyIGLYHABNNXGDGB-UUSAFJCLSA-N
MW308.43 g/mol
LogP3.84
Rot. Bonds1

About (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline

(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline (PubChem CID 155510816) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline.

Molecular Properties

Compound Name(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline
PubChem CID155510816
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline
SMILESCOc1ccc2c(c1)[C@@]1(C)Cc3nccnc3C(C)(C)C1CC2
InChIInChI=1S/C20H24N2O/c1-19(2)17-8-6-13-5-7-14(23-4)11-15(13)20(17,3)12-16-18(19)22-10-9-21-16/h5,7,9-11,17H,6,8,12H2,1-4H3/t17?,20-/m1/s1
InChIKeyIGLYHABNNXGDGB-UUSAFJCLSA-N
XLogP3.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline with MolForge

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Related Compounds

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CID 155512477
(3aS,9bR)-8-methoxy-9b-methyl-1,2,3,3a,4,5-hexahydrobenzo[e]indole
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ethane;(1S)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 142907152
(12aS)-2-methoxy-7,7,9,12a-tetramethyl-6a,12-dihydro-6H-naphtho[1,2-g]quinazolin-5-one
CID 155523040
(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one
CID 98475276
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
(1S,10aS)-6-methoxy-1,4a-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
CID 58886884
(1R,4aS,10aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;carbon dioxide
CID 158179701
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
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Frequently Asked Questions

What is the IUPAC name of (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline?
The IUPAC name of (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline (CID 155510816) is (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline.
What is the SMILES notation for (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline?
The canonical SMILES for (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline is COc1ccc2c(c1)[C@@]1(C)Cc3nccnc3C(C)(C)C1CC2.
What is the InChIKey of (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline?
The InChIKey is IGLYHABNNXGDGB-UUSAFJCLSA-N. The full InChI is InChI=1S/C20H24N2O/c1-19(2)17-8-6-13-5-7-14(23-4)11-15(13)20(17,3)12-16-18(19)22-10-9-21-16/h5,7,9-11,17H,6,8,12H2,1-4H3/t17?,20-/m1/s1.
What are the key properties of (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline?
(12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline has a molecular weight of 308.43 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12aS)-2-methoxy-7,7,12a-trimethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinoxaline is sourced from PubChem (CID 155510816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).