(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol

C20H24N2O2 — CID 3499717

IUPAC(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol
SMILESC=CC1CN2CCC1C(C(O)c1ccnc3ccc(OC)cc13)C2
InChIInChI=1S/C20H24N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,23H,1,7,9,11-12H2,2H3
InChIKeyAQMBZJFAYLBACQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.03
Rot. Bonds4

About (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol

(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol (PubChem CID 3499717) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol.

Molecular Properties

Compound Name(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol
PubChem CID3499717
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol
SMILESC=CC1CN2CCC1C(C(O)c1ccnc3ccc(OC)cc13)C2
InChIInChI=1S/C20H24N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,23H,1,7,9,11-12H2,2H3
InChIKeyAQMBZJFAYLBACQ-UHFFFAOYSA-N
XLogP3.03
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol?
The IUPAC name of (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol (CID 3499717) is (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol.
What is the SMILES notation for (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol?
The canonical SMILES for (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol is C=CC1CN2CCC1C(C(O)c1ccnc3ccc(OC)cc13)C2.
What is the InChIKey of (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol?
The InChIKey is AQMBZJFAYLBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,23H,1,7,9,11-12H2,2H3.
What are the key properties of (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol?
(5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol has a molecular weight of 324.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl)-(6-methoxyquinolin-4-yl)methanol is sourced from PubChem (CID 3499717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).