1161002-05-6
(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Molecular Identity
1161002-05-6
(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID: 7433743
2D Structure
Properties
C19H16BrNO2
Molecular Formula
370.20
Molecular Weight
g/mol
369.0364
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
30.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
484
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1161002-05-6G15(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline3H-Cyclopenta[c]quinoline, 4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-, (3aS,4R,9bR)-G-15(3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolineCHEMBL583543(3AS,4R,9BR)-4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-3H,3AH,4H,5H,9BH-CYCLOPENTA[C]QUINOLINE4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline(3aS*,4R*,9bR*)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-3H-cyclopenta[c]quinolineG15 Drug5DZD8Z9XMTGRB-G15GTPL3320orb1299863
Data from PubChem (NCBI)
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