[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol

C23H26N2O — CID 70473466

IUPAC[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol
SMILESC[C@@]12c3[nH]c4ccccc4c3CCN1CCC[C@H]2C(O)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-23-19(21(26)16-8-3-2-4-9-16)11-7-14-25(23)15-13-18-17-10-5-6-12-20(17)24-22(18)23/h2-6,8-10,12,19,21,24,26H,7,11,13-15H2,1H3/t19-,21?,23+/m0/s1
InChIKeyYSOLFXDHXYSWJB-AVAATZNPSA-N
MW346.47 g/mol
LogP4.38
Rot. Bonds2

About [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol

[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol (PubChem CID 70473466) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol.

Molecular Properties

Compound Name[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol
PubChem CID70473466
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol
SMILESC[C@@]12c3[nH]c4ccccc4c3CCN1CCC[C@H]2C(O)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-23-19(21(26)16-8-3-2-4-9-16)11-7-14-25(23)15-13-18-17-10-5-6-12-20(17)24-22(18)23/h2-6,8-10,12,19,21,24,26H,7,11,13-15H2,1H3/t19-,21?,23+/m0/s1
InChIKeyYSOLFXDHXYSWJB-AVAATZNPSA-N
XLogP4.38
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,12bS)-3,12b-dimethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine
CID 800127
1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol
CID 70395219
(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
CID 70395371
[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol
CID 70483860
1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde
CID 90688689
(1S)-1-methyl-11,12,14,21-tetrahydro-3H-yohimban
CID 162788262
(2S,5R)-2-methyl-5-propyl-7,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),12,14,16-tetraene
CID 7078475
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
2,5-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3(8),4,6,14,16,18-heptaene
CID 72722580
ethyl (1S,12bS)-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 101256710

Frequently Asked Questions

What is the IUPAC name of [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol?
The IUPAC name of [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol (CID 70473466) is [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol.
What is the SMILES notation for [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol?
The canonical SMILES for [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol is C[C@@]12c3[nH]c4ccccc4c3CCN1CCC[C@H]2C(O)c1ccccc1.
What is the InChIKey of [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol?
The InChIKey is YSOLFXDHXYSWJB-AVAATZNPSA-N. The full InChI is InChI=1S/C23H26N2O/c1-23-19(21(26)16-8-3-2-4-9-16)11-7-14-25(23)15-13-18-17-10-5-6-12-20(17)24-22(18)23/h2-6,8-10,12,19,21,24,26H,7,11,13-15H2,1H3/t19-,21?,23+/m0/s1.
What are the key properties of [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol?
[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol has a molecular weight of 346.47 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol is sourced from PubChem (CID 70473466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).