(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol

C20H25BrN2O2 — CID 102294583

IUPAC(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCC[C@H]1CN2CCC1C[C@H]2[C@H](O)c1cc(Br)nc2ccc(OC)cc12
InChIInChI=1S/C20H25BrN2O2/c1-3-12-11-23-7-6-13(12)8-18(23)20(24)16-10-19(21)22-17-5-4-14(25-2)9-15(16)17/h4-5,9-10,12-13,18,20,24H,3,6-8,11H2,1-2H3/t12-,13?,18-,20+/m0/s1
InChIKeyCKCNGBLINQBKAM-KWXGIDSPSA-N
MW405.34 g/mol
LogP4.16
Rot. Bonds4

About (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol

(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (PubChem CID 102294583) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.

Molecular Properties

Compound Name(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
PubChem CID102294583
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SMILESCC[C@H]1CN2CCC1C[C@H]2[C@H](O)c1cc(Br)nc2ccc(OC)cc12
InChIInChI=1S/C20H25BrN2O2/c1-3-12-11-23-7-6-13(12)8-18(23)20(24)16-10-19(21)22-17-5-4-14(25-2)9-15(16)17/h4-5,9-10,12-13,18,20,24H,3,6-8,11H2,1-2H3/t12-,13?,18-,20+/m0/s1
InChIKeyCKCNGBLINQBKAM-KWXGIDSPSA-N
XLogP4.16
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(R)-(2-chloro-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 101071522
(R)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 23305116
(R)-[(4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372245
(S)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 6604612
(S)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 155372243
(S)-[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 66589237
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydron;bromide
CID 74765327
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-methoxy-2-(4-methylsulfanylphenyl)quinolin-4-yl]methanol
CID 44535776
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;1-pentoxypentane
CID 70190276
(R)-(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
CID 163199350
[(2S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-(2-phenylphenyl)pyrimidine
CID 174551590
[(2R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;2-(2-phenylphenyl)pyrimidine
CID 174428677

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The IUPAC name of (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol (CID 102294583) is (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol.
What is the SMILES notation for (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The canonical SMILES for (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c1cc(Br)nc2ccc(OC)cc12.
What is the InChIKey of (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
The InChIKey is CKCNGBLINQBKAM-KWXGIDSPSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-3-12-11-23-7-6-13(12)8-18(23)20(24)16-10-19(21)22-17-5-4-14(25-2)9-15(16)17/h4-5,9-10,12-13,18,20,24H,3,6-8,11H2,1-2H3/t12-,13?,18-,20+/m0/s1.
What are the key properties of (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol?
(R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol has a molecular weight of 405.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol is sourced from PubChem (CID 102294583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).