(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol

C26H32N2O2 — CID 118406723

IUPAC(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol
SMILESC=CC1CN2CCC1C[C@H]2[C@H](O)C1(c2ccccc2)CCNc2ccc(OC)cc21
InChIInChI=1S/C26H32N2O2/c1-3-18-17-28-14-11-19(18)15-24(28)25(29)26(20-7-5-4-6-8-20)12-13-27-23-10-9-21(30-2)16-22(23)26/h3-10,16,18-19,24-25,27,29H,1,11-15,17H2,2H3/t18?,19?,24-,25-,26?/m0/s1
InChIKeyZCICTYIRJIHLQA-HRZMPFBOSA-N
MW404.55 g/mol
LogP4.05
Rot. Bonds5

About (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol

(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol (PubChem CID 118406723) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol
PubChem CID118406723
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol
SMILESC=CC1CN2CCC1C[C@H]2[C@H](O)C1(c2ccccc2)CCNc2ccc(OC)cc21
InChIInChI=1S/C26H32N2O2/c1-3-18-17-28-14-11-19(18)15-24(28)25(29)26(20-7-5-4-6-8-20)12-13-27-23-10-9-21(30-2)16-22(23)26/h3-10,16,18-19,24-25,27,29H,1,11-15,17H2,2H3/t18?,19?,24-,25-,26?/m0/s1
InChIKeyZCICTYIRJIHLQA-HRZMPFBOSA-N
XLogP4.05
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol 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

(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanol
CID 130217385
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-phenylquinolin-4-yl)methanol
CID 141389815
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
CID 71719620
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23349358
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride;hydrate
CID 51371363
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;trihydrate
CID 68846656

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol?
The IUPAC name of (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol (CID 118406723) is (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol.
What is the SMILES notation for (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol?
The canonical SMILES for (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol is C=CC1CN2CCC1C[C@H]2[C@H](O)C1(c2ccccc2)CCNc2ccc(OC)cc21.
What is the InChIKey of (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol?
The InChIKey is ZCICTYIRJIHLQA-HRZMPFBOSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-3-18-17-28-14-11-19(18)15-24(28)25(29)26(20-7-5-4-6-8-20)12-13-27-23-10-9-21(30-2)16-22(23)26/h3-10,16,18-19,24-25,27,29H,1,11-15,17H2,2H3/t18?,19?,24-,25-,26?/m0/s1.
What are the key properties of (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol?
(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol has a molecular weight of 404.55 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-phenyl-2,3-dihydro-1H-quinolin-4-yl)methanol is sourced from PubChem (CID 118406723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).