1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol

C18H23NO2 — CID 68819704

IUPAC1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol
SMILESCC(C)C1(O)CCCN2CCc3c(oc4ccccc34)C21
InChIInChI=1S/C18H23NO2/c1-12(2)18(20)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,12,17,20H,5,8-11H2,1-2H3
InChIKeyXXIIXPCPZSYLNZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds1

About 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol

1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol (PubChem CID 68819704) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol.

Molecular Properties

Compound Name1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol
PubChem CID68819704
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol
SMILESCC(C)C1(O)CCCN2CCc3c(oc4ccccc34)C21
InChIInChI=1S/C18H23NO2/c1-12(2)18(20)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,12,17,20H,5,8-11H2,1-2H3
InChIKeyXXIIXPCPZSYLNZ-UHFFFAOYSA-N
XLogP3.51
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol?
The IUPAC name of 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol (CID 68819704) is 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol.
What is the SMILES notation for 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol?
The canonical SMILES for 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol is CC(C)C1(O)CCCN2CCc3c(oc4ccccc34)C21.
What is the InChIKey of 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol?
The InChIKey is XXIIXPCPZSYLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)18(20)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,12,17,20H,5,8-11H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol?
1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin-1-ol is sourced from PubChem (CID 68819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).