CAS 1076202-13-5 | {5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanol | CAS Number 1076202-13-5

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1076202-13-5 | {5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanol

CAS No: 1076202-13-5 Catalog No: AG01B2PT MDL No:MFCD00599069

Product Description

Catalog Number:

AG01B2PT

Chemical Name:

{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanol

CAS Number:

1076202-13-5

Molecular Formula:

C20H26N2O2

Molecular Weight:

326.4326

MDL Number:

MFCD00599069

IUPAC Name:

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

InChI:

InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3

InChI Key:

LJOQGZACKSYWCH-UHFFFAOYSA-N

SMILES:

CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O

NSC Number:

41799

Properties

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.199g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.44g/mol

Monoisotopic Mass:

326.199g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

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