(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol

C19H22N2O2 — CID 139247817

IUPAC(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SMILESC=CC1C2CCN1[C@H]([C@H](O)c1ccnc3ccc(OC)cc13)C2
InChIInChI=1S/C19H22N2O2/c1-3-17-12-7-9-21(17)18(10-12)19(22)14-6-8-20-16-5-4-13(23-2)11-15(14)16/h3-6,8,11-12,17-19,22H,1,7,9-10H2,2H3/t12?,17?,18-,19+/m0/s1
InChIKeyHMEFLRXJMBARSY-DKJHAFTISA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds4

About (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol

(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol (PubChem CID 139247817) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol
PubChem CID139247817
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SMILESC=CC1C2CCN1[C@H]([C@H](O)c1ccnc3ccc(OC)cc13)C2
InChIInChI=1S/C19H22N2O2/c1-3-17-12-7-9-21(17)18(10-12)19(22)14-6-8-20-16-5-4-13(23-2)11-15(14)16/h3-6,8,11-12,17-19,22H,1,7,9-10H2,2H3/t12?,17?,18-,19+/m0/s1
InChIKeyHMEFLRXJMBARSY-DKJHAFTISA-N
XLogP2.93
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046
(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
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrate;dihydrochloride
CID 18530348
(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
CID 122197677

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The IUPAC name of (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol (CID 139247817) is (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol.
What is the SMILES notation for (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The canonical SMILES for (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol is C=CC1C2CCN1[C@H]([C@H](O)c1ccnc3ccc(OC)cc13)C2.
What is the InChIKey of (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol?
The InChIKey is HMEFLRXJMBARSY-DKJHAFTISA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-17-12-7-9-21(17)18(10-12)19(22)14-6-8-20-16-5-4-13(23-2)11-15(14)16/h3-6,8,11-12,17-19,22H,1,7,9-10H2,2H3/t12?,17?,18-,19+/m0/s1.
What are the key properties of (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol?
(R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol has a molecular weight of 310.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S)-7-ethenyl-1-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxyquinolin-4-yl)methanol is sourced from PubChem (CID 139247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).