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

C20H30N2O2 — CID 177388086

IUPAC(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol
SMILESCC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1CCNc2ccc(OC)cc21
InChIInChI=1S/C20H30N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-5,11,13-14,16,19-21,23H,3,6-10,12H2,1-2H3/t13-,14-,16?,19-,20+/m0/s1
InChIKeyQTQWPWAFXWCLGS-NDZHVMPHSA-N
MW330.47 g/mol
LogP3.08
Rot. Bonds4

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

(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol (PubChem CID 177388086) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol
PubChem CID177388086
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol
SMILESCC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1CCNc2ccc(OC)cc21
InChIInChI=1S/C20H30N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-5,11,13-14,16,19-21,23H,3,6-10,12H2,1-2H3/t13-,14-,16?,19-,20+/m0/s1
InChIKeyQTQWPWAFXWCLGS-NDZHVMPHSA-N
XLogP3.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol with MolForge

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Launch Full Analysis

Related Compounds

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 101150258
(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
(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)-[(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)-(2-bromo-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 102294583
4-[(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroperoxymethyl]-6-methoxyquinoline
CID 90476786
(R)-(2-chloro-6-methoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 101071522
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;1-pentoxypentane
CID 70190276
[(S)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate
CID 990629

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The IUPAC name of (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol (CID 177388086) is (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol.
What is the SMILES notation for (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The canonical SMILES for (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol is CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1CCNc2ccc(OC)cc21.
What is the InChIKey of (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol?
The InChIKey is QTQWPWAFXWCLGS-NDZHVMPHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-5,11,13-14,16,19-21,23H,3,6-10,12H2,1-2H3/t13-,14-,16?,19-,20+/m0/s1.
What are the key properties of (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol?
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol has a molecular weight of 330.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol is sourced from PubChem (CID 177388086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).