(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

C23H29NO — CID 3053247

IUPAC(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILESCC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1
InChIKeyUXKLVVLXBLXQBO-FUDKSRODSA-N
MW335.49 g/mol
LogP4.75
Rot. Bonds1

About (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (PubChem CID 3053247) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
PubChem CID3053247
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILESCC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1
InChIKeyUXKLVVLXBLXQBO-FUDKSRODSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The IUPAC name of (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (CID 3053247) is (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.
What is the SMILES notation for (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The canonical SMILES for (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is CC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1.
What is the InChIKey of (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The InChIKey is UXKLVVLXBLXQBO-FUDKSRODSA-N. The full InChI is InChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1.
What are the key properties of (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
(2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol has a molecular weight of 335.49 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S,11bS)-2-tert-butyl-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 3053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).