(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine

C16H21N3O — CID 129213344

IUPAC(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
SMILESCOC12CC(N)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C16H21N3O/c1-19-9-11(17)7-16(20-2)12-4-3-5-13-15(12)10(8-18-13)6-14(16)19/h3-5,8,11,14,18H,6-7,9,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyYEYUYFDIXFUVHC-OFWKBQFLSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds1

About (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine

(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine (PubChem CID 129213344) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
PubChem CID129213344
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
SMILESCOC12CC(N)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C16H21N3O/c1-19-9-11(17)7-16(20-2)12-4-3-5-13-15(12)10(8-18-13)6-14(16)19/h3-5,8,11,14,18H,6-7,9,17H2,1-2H3/t11?,14-,16?/m1/s1
InChIKeyYEYUYFDIXFUVHC-OFWKBQFLSA-N
XLogP1.60
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine with MolForge

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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
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,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 139024106
(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
[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 70255341
(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
(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
[(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
4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine
CID 154370760
(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 70055927
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
2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CID 19372792

Frequently Asked Questions

What is the IUPAC name of (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine (CID 129213344) is (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine is COC12CC(N)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13.
What is the InChIKey of (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine?
The InChIKey is YEYUYFDIXFUVHC-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-9-11(17)7-16(20-2)12-4-3-5-13-15(12)10(8-18-13)6-14(16)19/h3-5,8,11,14,18H,6-7,9,17H2,1-2H3/t11?,14-,16?/m1/s1.
What are the key properties of (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine?
(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine has a molecular weight of 271.36 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 129213344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).