4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine

C21H27N3O2 — CID 154370760

IUPAC4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine
SMILESCO[C@]12C=C(CN3CCOCC3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C21H27N3O2/c1-23-13-15(14-24-6-8-26-9-7-24)11-21(25-2)17-4-3-5-18-20(17)16(12-22-18)10-19(21)23/h3-5,11-12,19,22H,6-10,13-14H2,1-2H3/t19-,21+/m1/s1
InChIKeyQPUKMGQUKHWNOZ-CTNGQTDRSA-N
MW353.47 g/mol
LogP2.14
Rot. Bonds3

About 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine

4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine (PubChem CID 154370760) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine
PubChem CID154370760
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine
SMILESCO[C@]12C=C(CN3CCOCC3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C21H27N3O2/c1-23-13-15(14-24-6-8-26-9-7-24)11-21(25-2)17-4-3-5-18-20(17)16(12-22-18)10-19(21)23/h3-5,11-12,19,22H,6-10,13-14H2,1-2H3/t19-,21+/m1/s1
InChIKeyQPUKMGQUKHWNOZ-CTNGQTDRSA-N
XLogP2.14
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
CID 129213344
(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)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 139024106
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
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
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
[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 70255341
(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327265
1-[2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]-1,3-diazinane-2,4-dione
CID 10785133
(6aR)-9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 54341112
[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl 4-methoxycyclohexane-1-carboxylate
CID 10715651
3-[[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-5-hydroxy-1H-imidazol-2-one
CID 57217708

Frequently Asked Questions

What is the IUPAC name of 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine?
The IUPAC name of 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine (CID 154370760) is 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine?
The canonical SMILES for 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine is CO[C@]12C=C(CN3CCOCC3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13.
What is the InChIKey of 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine?
The InChIKey is QPUKMGQUKHWNOZ-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-13-15(14-24-6-8-26-9-7-24)11-21(25-2)17-4-3-5-18-20(17)16(12-22-18)10-19(21)23/h3-5,11-12,19,22H,6-10,13-14H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine?
4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]morpholine is sourced from PubChem (CID 154370760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).