(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline

C17H25NO — CID 22792255

IUPAC(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
SMILESCOc1ccc2c(c1)C(C)(C)[C@@H]1CCCN(C)[C@@H]1C2
InChIInChI=1S/C17H25NO/c1-17(2)14-6-5-9-18(3)16(14)10-12-7-8-13(19-4)11-15(12)17/h7-8,11,14,16H,5-6,9-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyJHGXVHLVQMXIGA-GDBMZVCRSA-N
MW259.39 g/mol
LogP3.24
Rot. Bonds1

About (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline

(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline (PubChem CID 22792255) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline.

Molecular Properties

Compound Name(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
PubChem CID22792255
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
SMILESCOc1ccc2c(c1)C(C)(C)[C@@H]1CCCN(C)[C@@H]1C2
InChIInChI=1S/C17H25NO/c1-17(2)14-6-5-9-18(3)16(14)10-12-7-8-13(19-4)11-15(12)17/h7-8,11,14,16H,5-6,9-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyJHGXVHLVQMXIGA-GDBMZVCRSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183
1-[(4aR,10aS)-7-methoxy-5,5-dimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-1-yl]ethanone
CID 86733859
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54496451
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
(1R,9R,10R,13S)-4-methoxy-13,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 22212557
(1S,9R,10R)-4-methoxy-12,13,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene
CID 98522553
(1R,9R,10R)-17-(dideuteriomethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118053335
(1R,9R)-17-dimethoxyphosphoryl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 58600404

Frequently Asked Questions

What is the IUPAC name of (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The IUPAC name of (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline (CID 22792255) is (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline.
What is the SMILES notation for (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The canonical SMILES for (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline is COc1ccc2c(c1)C(C)(C)[C@@H]1CCCN(C)[C@@H]1C2.
What is the InChIKey of (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
The InChIKey is JHGXVHLVQMXIGA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)14-6-5-9-18(3)16(14)10-12-7-8-13(19-4)11-15(12)17/h7-8,11,14,16H,5-6,9-10H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline?
(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline has a molecular weight of 259.39 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline is sourced from PubChem (CID 22792255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).