(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol

C30H35NO4 — CID 15287282

IUPAC(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
SMILESO[C@@H]1CCCN2CC(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]12
InChIInChI=1S/C30H35NO4/c32-26-17-10-18-31-19-27(33-20-23-11-4-1-5-12-23)29(34-21-24-13-6-2-7-14-24)30(28(26)31)35-22-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27?,28+,29-,30-/m1/s1
InChIKeyMSZRZNSHPDOYBA-GGOUHMFKSA-N
MW473.61 g/mol
LogP4.58
Rot. Bonds9

About (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol

(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol (PubChem CID 15287282) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol.

Molecular Properties

Compound Name(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
PubChem CID15287282
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
SMILESO[C@@H]1CCCN2CC(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]12
InChIInChI=1S/C30H35NO4/c32-26-17-10-18-31-19-27(33-20-23-11-4-1-5-12-23)29(34-21-24-13-6-2-7-14-24)30(28(26)31)35-22-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27?,28+,29-,30-/m1/s1
InChIKeyMSZRZNSHPDOYBA-GGOUHMFKSA-N
XLogP4.58
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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CID 10528478
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(1R,2R,3R,8R,8aS)-8-hydroxy-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
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Frequently Asked Questions

What is the IUPAC name of (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol?
The IUPAC name of (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol (CID 15287282) is (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol.
What is the SMILES notation for (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol?
The canonical SMILES for (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol is O[C@@H]1CCCN2CC(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]12.
What is the InChIKey of (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol?
The InChIKey is MSZRZNSHPDOYBA-GGOUHMFKSA-N. The full InChI is InChI=1S/C30H35NO4/c32-26-17-10-18-31-19-27(33-20-23-11-4-1-5-12-23)29(34-21-24-13-6-2-7-14-24)30(28(26)31)35-22-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27?,28+,29-,30-/m1/s1.
What are the key properties of (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol?
(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol has a molecular weight of 473.61 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol is sourced from PubChem (CID 15287282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).