[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol

C17H22N2O2 — CID 139024106

IUPAC[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
SMILES[2H]C([2H])([2H])O[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/m1/s1/i2D3
InChIKeyJGQZSBLQHCTAJF-RQWSDIPHSA-N
MW289.39 g/mol
LogP1.88
Rot. Bonds3

About [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol

[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 139024106) has the molecular formula C17H22N2O2 and a molecular weight of 289.39 g/mol. Its IUPAC name is [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID139024106
Molecular FormulaC17H22N2O2
Molecular Weight289.39 g/mol
Exact Mass289.19
IUPAC Name[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
SMILES[2H]C([2H])([2H])O[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/m1/s1/i2D3
InChIKeyJGQZSBLQHCTAJF-RQWSDIPHSA-N
XLogP1.88
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol 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

2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid
CID 70184799
[(6aR,9R,10aS)-4-(hydroxymethyl)-7-methyl-10a-(trideuteriomethoxy)-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 171394902
(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
CID 129213344
5-[[(6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 13251460
[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 70255341
[(6aR,9R,10aS)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 21156212
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
(7R)-4,6-dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CID 138969772
(2S,4R,8R)-7-methyl-7,12-diazapentacyclo[8.6.1.02,4.02,8.013,17]heptadeca-1(17),10,13,15-tetraen-5-one;hydrochloride
CID 54612734
(6aR,10aS)-9-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline
CID 70185093
4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine
CID 154370760
methyl (2S,4S,7R)-4-methyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-6-carboxylate
CID 53329383

Frequently Asked Questions

What is the IUPAC name of [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol (CID 139024106) is [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol is [2H]C([2H])([2H])O[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13.
What is the InChIKey of [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is JGQZSBLQHCTAJF-RQWSDIPHSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/m1/s1/i2D3.
What are the key properties of [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol?
[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 289.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 139024106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).