4-Aminoquinoline

C9H8N2 — CID 68476

IUPACquinolin-4-amine
SMILESC1=CC=C2C(=C1)C(=CC=N2)N
InChIInChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
InChIKeyFQYRLEXKXQRZDH-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.60
Rot. Bonds

About 4-Aminoquinoline

4-Aminoquinoline (PubChem CID 68476) has the molecular formula C9H8N2 and a molecular weight of 144.17 g/mol. Its IUPAC name is quinolin-4-amine.

Molecular Properties

Compound Name4-Aminoquinoline
PubChem CID68476
Molecular FormulaC9H8N2
Molecular Weight144.17 g/mol
Exact Mass144.07
IUPAC Namequinolin-4-amine
SMILESC1=CC=C2C(=C1)C(=CC=N2)N
InChIInChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
InChIKeyFQYRLEXKXQRZDH-UHFFFAOYSA-N
XLogP1.60
TPSA38.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroquine
CID 2719
Tacrine
CID 1935
4-Nitroquinoline 1-Oxide
CID 5955
Quinoline
CID 7047
Proflavine
CID 7099
6-Methylquinoline
CID 7059
Indalpine
CID 44668
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
Isoquinoline
CID 8405
2-Methylquinoline
CID 7060

Frequently Asked Questions

What is the IUPAC name of 4-Aminoquinoline?
The IUPAC name of 4-Aminoquinoline (CID 68476) is quinolin-4-amine.
What is the SMILES notation for 4-Aminoquinoline?
The canonical SMILES for 4-Aminoquinoline is C1=CC=C2C(=C1)C(=CC=N2)N.
What is the InChIKey of 4-Aminoquinoline?
The InChIKey is FQYRLEXKXQRZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11).
What are the key properties of 4-Aminoquinoline?
4-Aminoquinoline has a molecular weight of 144.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Aminoquinoline is sourced from PubChem (CID 68476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).