(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol

C17H21BrN2O — CID 70395371

IUPAC(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
SMILESCC12c3[nH]c4cc(Br)ccc4c3CCN1CCCC2CO
InChIInChI=1S/C17H21BrN2O/c1-17-11(10-21)3-2-7-20(17)8-6-14-13-5-4-12(18)9-15(13)19-16(14)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3
InChIKeyMTOUXJLHPDXNLQ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.41
Rot. Bonds1

About (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol

(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol (PubChem CID 70395371) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol.

Molecular Properties

Compound Name(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
PubChem CID70395371
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
SMILESCC12c3[nH]c4cc(Br)ccc4c3CCN1CCCC2CO
InChIInChI=1S/C17H21BrN2O/c1-17-11(10-21)3-2-7-20(17)8-6-14-13-5-4-12(18)9-15(13)19-16(14)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3
InChIKeyMTOUXJLHPDXNLQ-UHFFFAOYSA-N
XLogP3.41
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The IUPAC name of (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol (CID 70395371) is (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol.
What is the SMILES notation for (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The canonical SMILES for (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol is CC12c3[nH]c4cc(Br)ccc4c3CCN1CCCC2CO.
What is the InChIKey of (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The InChIKey is MTOUXJLHPDXNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-17-11(10-21)3-2-7-20(17)8-6-14-13-5-4-12(18)9-15(13)19-16(14)17/h4-5,9,11,19,21H,2-3,6-8,10H2,1H3.
What are the key properties of (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
(10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol has a molecular weight of 349.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-bromo-12b-methyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol is sourced from PubChem (CID 70395371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).