1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol

C17H22N2O2 — CID 70395219

IUPAC1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol
SMILESCC12c3[nH]c4ccc(O)cc4c3CCN1CCCC2CO
InChIInChI=1S/C17H22N2O2/c1-17-11(10-20)3-2-7-19(17)8-6-13-14-9-12(21)4-5-15(14)18-16(13)17/h4-5,9,11,18,20-21H,2-3,6-8,10H2,1H3
InChIKeyIUHOHSOISISUNP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.35
Rot. Bonds1

About 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol

1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol (PubChem CID 70395219) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol
PubChem CID70395219
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol
SMILESCC12c3[nH]c4ccc(O)cc4c3CCN1CCCC2CO
InChIInChI=1S/C17H22N2O2/c1-17-11(10-20)3-2-7-19(17)8-6-13-14-9-12(21)4-5-15(14)18-16(13)17/h4-5,9,11,18,20-21H,2-3,6-8,10H2,1H3
InChIKeyIUHOHSOISISUNP-UHFFFAOYSA-N
XLogP2.35
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol with MolForge

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Related Compounds

[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol
CID 70483860
(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
CID 70395371
[(1R,12bR)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]-phenylmethanol
CID 70473466
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
lithium (1S,15S,17S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
CID 140621004
(1S,15R,16S)-17-ethyl-7-hydroxy-16-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylic acid
CID 130356807
2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496012
(1R,12R)-15-benzyl-7-hydroxy-1-methyl-3,14,16-triazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-13-one
CID 11152212
(1R,12R,15S)-15-benzyl-7-hydroxy-1-methyl-3,14,16-triazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-13-one
CID 23249456
1-ethyl-12b-methyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carbaldehyde
CID 90688689
(1R,15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 70800104
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 69029446

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol?
The IUPAC name of 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol (CID 70395219) is 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol.
What is the SMILES notation for 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol?
The canonical SMILES for 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol is CC12c3[nH]c4ccc(O)cc4c3CCN1CCCC2CO.
What is the InChIKey of 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol?
The InChIKey is IUHOHSOISISUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17-11(10-20)3-2-7-19(17)8-6-13-14-9-12(21)4-5-15(14)18-16(13)17/h4-5,9,11,18,20-21H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol?
1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol has a molecular weight of 286.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-9-ol is sourced from PubChem (CID 70395219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).