(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

C26H25N3O2 — CID 90438053

IUPAC(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
SMILESC=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(-c3nc4ccccc4o3)cc12
InChIInChI=1S/C26H25N3O2/c1-2-16-15-29-12-10-17(16)14-23(29)25(30)19-9-11-27-21-8-7-18(13-20(19)21)26-28-22-5-3-4-6-24(22)31-26/h2-9,11,13,16-17,23,25,30H,1,10,12,14-15H2/t16?,17?,23?,25-/m1/s1
InChIKeyGXIPJZXMVDLIGH-CWYBWNDISA-N
MW411.51 g/mol
LogP4.97
Rot. Bonds4

About (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol (PubChem CID 90438053) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol.

Molecular Properties

Compound Name(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
PubChem CID90438053
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
SMILESC=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(-c3nc4ccccc4o3)cc12
InChIInChI=1S/C26H25N3O2/c1-2-16-15-29-12-10-17(16)14-23(29)25(30)19-9-11-27-21-8-7-18(13-20(19)21)26-28-22-5-3-4-6-24(22)31-26/h2-9,11,13,16-17,23,25,30H,1,10,12,14-15H2/t16?,17?,23?,25-/m1/s1
InChIKeyGXIPJZXMVDLIGH-CWYBWNDISA-N
XLogP4.97
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-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

Frequently Asked Questions

What is the IUPAC name of (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol?
The IUPAC name of (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol (CID 90438053) is (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol.
What is the SMILES notation for (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol?
The canonical SMILES for (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol is C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(-c3nc4ccccc4o3)cc12.
What is the InChIKey of (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol?
The InChIKey is GXIPJZXMVDLIGH-CWYBWNDISA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-16-15-29-12-10-17(16)14-23(29)25(30)19-9-11-27-21-8-7-18(13-20(19)21)26-28-22-5-3-4-6-24(22)31-26/h2-9,11,13,16-17,23,25,30H,1,10,12,14-15H2/t16?,17?,23?,25-/m1/s1.
What are the key properties of (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol?
(R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol has a molecular weight of 411.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[6-(1,3-benzoxazol-2-yl)quinolin-4-yl]-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol is sourced from PubChem (CID 90438053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).