(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride

C25H30ClN3O2 — CID 44535983

IUPAC(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride
SMILESCC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12.Cl
InChIInChI=1S/C25H29N3O2.ClH/c1-3-16-15-28-10-8-17(16)11-24(28)25(29)21-13-23(18-5-4-9-26-14-18)27-22-7-6-19(30-2)12-20(21)22;/h4-7,9,12-14,16-17,24-25,29H,3,8,10-11,15H2,1-2H3;1H/t16-,17+,24-,25+;/m0./s1
InChIKeyAIMBBZWJEVNYRC-ROBNDQLCSA-N
MW439.99 g/mol
LogP4.88
Rot. Bonds5

About (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride

(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride (PubChem CID 44535983) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride
PubChem CID44535983
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride
SMILESCC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12.Cl
InChIInChI=1S/C25H29N3O2.ClH/c1-3-16-15-28-10-8-17(16)11-24(28)25(29)21-13-23(18-5-4-9-26-14-18)27-22-7-6-19(30-2)12-20(21)22;/h4-7,9,12-14,16-17,24-25,29H,3,8,10-11,15H2,1-2H3;1H/t16-,17+,24-,25+;/m0./s1
InChIKeyAIMBBZWJEVNYRC-ROBNDQLCSA-N
XLogP4.88
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride 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 (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride?
The IUPAC name of (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride (CID 44535983) is (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride?
The canonical SMILES for (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride is CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12.Cl.
What is the InChIKey of (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride?
The InChIKey is AIMBBZWJEVNYRC-ROBNDQLCSA-N. The full InChI is InChI=1S/C25H29N3O2.ClH/c1-3-16-15-28-10-8-17(16)11-24(28)25(29)21-13-23(18-5-4-9-26-14-18)27-22-7-6-19(30-2)12-20(21)22;/h4-7,9,12-14,16-17,24-25,29H,3,8,10-11,15H2,1-2H3;1H/t16-,17+,24-,25+;/m0./s1.
What are the key properties of (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride?
(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride has a molecular weight of 439.99 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridin-3-ylquinolin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 44535983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).