3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine

C22H18N2O — CID 86646326

IUPAC3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine
SMILESC1=CC2=C3N=c4ccccc4=C3CCN2C=C1OCc1ccccc1
InChIInChI=1S/C22H18N2O/c1-2-6-16(7-3-1)15-25-17-10-11-21-22-19(12-13-24(21)14-17)18-8-4-5-9-20(18)23-22/h1-11,14H,12-13,15H2
InChIKeyBKMGWIYIUVJLKI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds3

About 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine

3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine (PubChem CID 86646326) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine
PubChem CID86646326
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine
SMILESC1=CC2=C3N=c4ccccc4=C3CCN2C=C1OCc1ccccc1
InChIInChI=1S/C22H18N2O/c1-2-6-16(7-3-1)15-25-17-10-11-21-22-19(12-13-24(21)14-17)18-8-4-5-9-20(18)23-22/h1-11,14H,12-13,15H2
InChIKeyBKMGWIYIUVJLKI-UHFFFAOYSA-N
XLogP3.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine?
The IUPAC name of 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine (CID 86646326) is 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine?
The canonical SMILES for 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine is C1=CC2=C3N=c4ccccc4=C3CCN2C=C1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine?
The InChIKey is BKMGWIYIUVJLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-6-16(7-3-1)15-25-17-10-11-21-22-19(12-13-24(21)14-17)18-8-4-5-9-20(18)23-22/h1-11,14H,12-13,15H2.
What are the key properties of 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine?
3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine has a molecular weight of 326.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6,7-dihydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 86646326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).