[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol

C17H21ClN2O — CID 70483860

IUPAC[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol
SMILESC[C@@]12c3[nH]c4ccc(Cl)cc4c3CCN1CCC[C@H]2CO
InChIInChI=1S/C17H21ClN2O/c1-17-11(10-21)3-2-7-20(17)8-6-13-14-9-12(18)4-5-15(14)19-16(13)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3/t11-,17+/m0/s1
InChIKeyUPRYMKAHIPUDJP-APPDUMDISA-N
MW304.82 g/mol
LogP3.30
Rot. Bonds1

About [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol

[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol (PubChem CID 70483860) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol
PubChem CID70483860
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol
SMILESC[C@@]12c3[nH]c4ccc(Cl)cc4c3CCN1CCC[C@H]2CO
InChIInChI=1S/C17H21ClN2O/c1-17-11(10-21)3-2-7-20(17)8-6-13-14-9-12(18)4-5-15(14)19-16(13)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3/t11-,17+/m0/s1
InChIKeyUPRYMKAHIPUDJP-APPDUMDISA-N
XLogP3.30
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol?
The IUPAC name of [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol (CID 70483860) is [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol.
What is the SMILES notation for [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol?
The canonical SMILES for [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol is C[C@@]12c3[nH]c4ccc(Cl)cc4c3CCN1CCC[C@H]2CO.
What is the InChIKey of [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol?
The InChIKey is UPRYMKAHIPUDJP-APPDUMDISA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-17-11(10-21)3-2-7-20(17)8-6-13-14-9-12(18)4-5-15(14)19-16(13)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3/t11-,17+/m0/s1.
What are the key properties of [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol?
[(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol has a molecular weight of 304.82 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,12bR)-9-chloro-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]methanol is sourced from PubChem (CID 70483860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).