1-(Propylamino)isoquinoline-7-carboxylic acid

HCID 21085201
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Basic information

Standard SMILES
CCCNc1nccc2ccc(C(=O)O)cc12
InChIKey
QNRCRJZUFAWDIZ-UHFFFAOYSA-N
Molecular formula
C13H14N2O2
Average molar mass
230.26 g/mol

Names & identifiers

Preferred name
1-(Propylamino)isoquinoline-7-carboxylic acid
IUPAC
1-(propylamino)isoquinoline-7-carboxylic acid

Names & synonyms

SCHEMBL3356912QNRCRJZUFAWDIZ-UHFFFAOYSA-N1-(propylamino)isoquinoline-7-carboxylic acid

Database identifiers

PubChem CID
21085201

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
62.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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