BIAdb 1-(4-aminophenyl)isoquinoline 1020

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BIAdb 1-(4-aminophenyl)isoquinoline 1020
Systematic (IUPAC) name
4-isoquinolin-1-ylaniline
Identifiers
CAS number	?
ATC code	?
PubChem	205988
Chemical data
Formula	C₁₅H₁₂N₂
Mol. mass	220.26918
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Chemical Synthesis

Phosphodiesterase inhibitor

*Molecular Weight

220.26918

*Exact Mass

220.100048

*Molecular Formula

C₁₅H₁₂N₂

*IUPAC NAME

4-isoquinolin-1-ylaniline

*Canonical Smiles

C1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=C3)N

*Isomeric Smiles

N/A

*XLogP

3.1

*Hydrogen bond donor

1

*Hydrogen bond acceptor

2

*Rotational Bond Count

1

*Topological Polar Surface Area

38.9