Molecular Identity
ISOQUINOLINE
isoquinoline
PubChem CID: 8405
Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a member of isoquinolines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.
2D Structure
Properties
C9H7N
Molecular Formula
129.16
Molecular Weight
g/mol
129.0578
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
12.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
111
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ISOQUINOLINE119-65-32-Benzazine2-AzanaphthaleneLeucolinebeta-QuinolineIsochinolinBenzo[c]pyridine3,4-BenzopyridineBenzo(c)pyridineFEMA No. 2978DTXSID2047644JGX76Y85M6NSC-3395DTXCID0027644
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ISOQUINOLINE
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