Synonyms
(1R,3S,5R,7R,8aS)-7-Ethylhexahydro-1-(6-hydroxy-4-quinolinyl)-3,7-methano-1H-pyrrolo[2,1-c][1,4]oxazine;1476067-44-3;
IUPAC Name
4-[(1R,3S,4R,6S)-1-ethyl-5-oxa-8-azatricyclo[4.3.1.03,8]decan-4-yl]quinolin-6-ol;
Molecular Weight
310.397g/mol
Molecular Formula
C19H22N2O2;
Canonical SMILES
CCC12CC3CN(C1)C(C2)C(O3)C4=C5C=C(C=CC5=NC=C4)O;
InChI
InChI=1S/C19H22N2O2/c1-2-19-8-13-10-21(11-19)17(9-19)18(23-13)14-5-6-20-16-4-3-12(22)7-15(14)16/h3-7,13,17-18,22H,2,8-11H2,1H3/t13-,17-,18+,19-/m0/s1;
InChI Key
DZHXBRDYIVRDPL-YFYLHZKVSA-N;
Complexity
472
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
310.168g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
23
Monoisotopic Mass
310.168g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
45.6A^2
