5-bromoquinolin-8-amine

C9H7BrN2 — CID 613829

IUPAC5-bromoquinolin-8-amine
SMILESNc1ccc(Br)c2cccnc12
InChIInChI=1S/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChIKeyGEABITRRZOHARP-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.58
Rot. Bonds

About 5-bromoquinolin-8-amine

5-bromoquinolin-8-amine (PubChem CID 613829) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromoquinolin-8-amine.

Molecular Properties

Compound Name5-bromoquinolin-8-amine
PubChem CID613829
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromoquinolin-8-amine
SMILESNc1ccc(Br)c2cccnc12
InChIInChI=1S/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChIKeyGEABITRRZOHARP-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromoquinolin-8-amine?
The IUPAC name of 5-bromoquinolin-8-amine (CID 613829) is 5-bromoquinolin-8-amine.
What is the SMILES notation for 5-bromoquinolin-8-amine?
The canonical SMILES for 5-bromoquinolin-8-amine is Nc1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromoquinolin-8-amine?
The InChIKey is GEABITRRZOHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2.
What are the key properties of 5-bromoquinolin-8-amine?
5-bromoquinolin-8-amine has a molecular weight of 223.07 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinolin-8-amine is sourced from PubChem (CID 613829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).