4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
4-[[2-(3-chlorophenyl)acetyl]amino]isoquinoline-6-carboxylic acid
Molecular Identity
4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
4-[[2-(3-chlorophenyl)acetyl]amino]isoquinoline-6-carboxylic acid
PubChem CID: 169408355
2D Structure
Properties
C18H13ClN2O3
Molecular Formula
340.80
Molecular Weight
g/mol
340.0615
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
79.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
473
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)Cl)CC(=O)NC2=C3C=C(C=CC3=CN=C2)C(=O)OIsomeric SMILES
SMILES: C1=CC(=CC(=C1)Cl)CC(=O)NC2=C3C=C(C=CC3=CN=C2)C(=O)OSynonyms(4)
4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acidBDBM627871CVD-0019183RJX
Data from PubChem (NCBI)
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Molecular Structure
4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
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Drug Network
Trials and conditions connected to 4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
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