3-bromo-N-pyridazin-3-ylquinolin-2-amine

C13H9BrN4 — CID 102471995

IUPAC3-bromo-N-pyridazin-3-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1cccnn1
InChIInChI=1S/C13H9BrN4/c14-10-8-9-4-1-2-5-11(9)16-13(10)17-12-6-3-7-15-18-12/h1-8H,(H,16,17,18)
InChIKeyVPUQOADVMABYNR-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-N-pyridazin-3-ylquinolin-2-amine

3-bromo-N-pyridazin-3-ylquinolin-2-amine (PubChem CID 102471995) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 3-bromo-N-pyridazin-3-ylquinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-pyridazin-3-ylquinolin-2-amine
PubChem CID102471995
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC Name3-bromo-N-pyridazin-3-ylquinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1cccnn1
InChIInChI=1S/C13H9BrN4/c14-10-8-9-4-1-2-5-11(9)16-13(10)17-12-6-3-7-15-18-12/h1-8H,(H,16,17,18)
InChIKeyVPUQOADVMABYNR-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-pyridazin-3-ylquinolin-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

Related Compounds

N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine
CID 167892380
acridine
CID 21226281
N-(4-methoxyphenyl)pyridazin-3-amine
CID 121218984
acridine;methane
CID 21324126
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
N-(2-chloro-3-pyridinyl)pyridazin-3-amine
CID 102275010
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
CID 107600392

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pyridazin-3-ylquinolin-2-amine?
The IUPAC name of 3-bromo-N-pyridazin-3-ylquinolin-2-amine (CID 102471995) is 3-bromo-N-pyridazin-3-ylquinolin-2-amine.
What is the SMILES notation for 3-bromo-N-pyridazin-3-ylquinolin-2-amine?
The canonical SMILES for 3-bromo-N-pyridazin-3-ylquinolin-2-amine is Brc1cc2ccccc2nc1Nc1cccnn1.
What is the InChIKey of 3-bromo-N-pyridazin-3-ylquinolin-2-amine?
The InChIKey is VPUQOADVMABYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-10-8-9-4-1-2-5-11(9)16-13(10)17-12-6-3-7-15-18-12/h1-8H,(H,16,17,18).
What are the key properties of 3-bromo-N-pyridazin-3-ylquinolin-2-amine?
3-bromo-N-pyridazin-3-ylquinolin-2-amine has a molecular weight of 301.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyridazin-3-ylquinolin-2-amine is sourced from PubChem (CID 102471995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).