Sumanirole
(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Molecular Identity
Sumanirole
(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID: 9818479
2D Structure
Properties
C11H13N3O
Molecular Formula
203.24
Molecular Weight
g/mol
203.1059
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
44.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
281
Complexity
SMILES
Canonical SMILES
SMILES: CNC1CC2=C3C(=CC=C2)NC(=O)N3C1Isomeric SMILES
SMILES: CN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1Synonyms(20)
Sumanirole179386-43-7PNU-95666sumanirol3E93IV1U45DTXSID00870144sumanirolumRefChem:186777DTXCID801509827(10R)-10-(methylamino)-1,3-diazatricyclo(6.3.1.0^(4,12))dodeca-4,6,8(12)-trien-2-one(R)-5-(Methylamino)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-oneSumanirole [INN](10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-oneCHEMBL419792(R)-5,6-Dihydro-5-(methylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
Data from PubChem (NCBI)
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