6-bromo-4-chloroquinolin-2-amine

C9H6BrClN2 — CID 154853425

IUPAC6-bromo-4-chloroquinolin-2-amine
SMILESNc1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C9H6BrClN2/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyJEDQDGFCCDAGLT-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.23
Rot. Bonds

About 6-bromo-4-chloroquinolin-2-amine

6-bromo-4-chloroquinolin-2-amine (PubChem CID 154853425) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 6-bromo-4-chloroquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-4-chloroquinolin-2-amine
PubChem CID154853425
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name6-bromo-4-chloroquinolin-2-amine
SMILESNc1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C9H6BrClN2/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyJEDQDGFCCDAGLT-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-chloroquinolin-2-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 6-bromo-4-chloroquinolin-2-amine?
The IUPAC name of 6-bromo-4-chloroquinolin-2-amine (CID 154853425) is 6-bromo-4-chloroquinolin-2-amine.
What is the SMILES notation for 6-bromo-4-chloroquinolin-2-amine?
The canonical SMILES for 6-bromo-4-chloroquinolin-2-amine is Nc1cc(Cl)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-chloroquinolin-2-amine?
The InChIKey is JEDQDGFCCDAGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H,(H2,12,13).
What are the key properties of 6-bromo-4-chloroquinolin-2-amine?
6-bromo-4-chloroquinolin-2-amine has a molecular weight of 257.52 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloroquinolin-2-amine is sourced from PubChem (CID 154853425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).