(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline

C15H21NO — CID 70268151

IUPAC(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
SMILESCOc1c(C)ccc2c1C[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H21NO/c1-10-5-6-11-9-14-12(4-3-7-16-14)8-13(11)15(10)17-2/h5-6,12,14,16H,3-4,7-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyGVRRIPKDINGECU-TZMCWYRMSA-N
MW231.34 g/mol
LogP2.47
Rot. Bonds1

About (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline

(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline (PubChem CID 70268151) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline.

Molecular Properties

Compound Name(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
PubChem CID70268151
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
SMILESCOc1c(C)ccc2c1C[C@H]1CCCN[C@@H]1C2
InChIInChI=1S/C15H21NO/c1-10-5-6-11-9-14-12(4-3-7-16-14)8-13(11)15(10)17-2/h5-6,12,14,16H,3-4,7-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyGVRRIPKDINGECU-TZMCWYRMSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline with MolForge

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Related Compounds

(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
CID 155392745
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
CID 14879705
(2S)-N-ethyl-5-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 124705513
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 101488870
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
2-(2-methoxy-3,4-dimethylphenyl)-3-methylpiperidine
CID 106781936
(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 70658369

Frequently Asked Questions

What is the IUPAC name of (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline?
The IUPAC name of (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline (CID 70268151) is (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline.
What is the SMILES notation for (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline?
The canonical SMILES for (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline is COc1c(C)ccc2c1C[C@H]1CCCN[C@@H]1C2.
What is the InChIKey of (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline?
The InChIKey is GVRRIPKDINGECU-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-5-6-11-9-14-12(4-3-7-16-14)8-13(11)15(10)17-2/h5-6,12,14,16H,3-4,7-9H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline?
(4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline has a molecular weight of 231.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aR)-6-methoxy-7-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline is sourced from PubChem (CID 70268151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).