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

C22H24N2O — CID 70395093

IUPAC(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
SMILESOCC1CCCN2CCc3c(n(-c4ccccc4)c4ccccc34)C12
InChIInChI=1S/C22H24N2O/c25-15-16-7-6-13-23-14-12-19-18-10-4-5-11-20(18)24(22(19)21(16)23)17-8-2-1-3-9-17/h1-5,8-11,16,21,25H,6-7,12-15H2
InChIKeyQCAFCESFAUBHPL-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.93
Rot. Bonds2

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

(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol (PubChem CID 70395093) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol.

Molecular Properties

Compound Name(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
PubChem CID70395093
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
SMILESOCC1CCCN2CCc3c(n(-c4ccccc4)c4ccccc34)C12
InChIInChI=1S/C22H24N2O/c25-15-16-7-6-13-23-14-12-19-18-10-4-5-11-20(18)24(22(19)21(16)23)17-8-2-1-3-9-17/h1-5,8-11,16,21,25H,6-7,12-15H2
InChIKeyQCAFCESFAUBHPL-UHFFFAOYSA-N
XLogP3.93
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The IUPAC name of (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol (CID 70395093) is (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol.
What is the SMILES notation for (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The canonical SMILES for (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol is OCC1CCCN2CCc3c(n(-c4ccccc4)c4ccccc34)C12.
What is the InChIKey of (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
The InChIKey is QCAFCESFAUBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-15-16-7-6-13-23-14-12-19-18-10-4-5-11-20(18)24(22(19)21(16)23)17-8-2-1-3-9-17/h1-5,8-11,16,21,25H,6-7,12-15H2.
What are the key properties of (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol?
(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol has a molecular weight of 332.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol is sourced from PubChem (CID 70395093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).