4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine

C25H21BrN6O — CID 141377311

IUPAC4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine
SMILESBrc1cccc(-c2ccc3nnc(Cc4ccc5ncc(N6CCOCC6)cc5c4)n3n2)c1
InChIInChI=1S/C25H21BrN6O/c26-20-3-1-2-18(14-20)23-6-7-24-28-29-25(32(24)30-23)13-17-4-5-22-19(12-17)15-21(16-27-22)31-8-10-33-11-9-31/h1-7,12,14-16H,8-11,13H2
InChIKeyGTPASIJGZQEETH-UHFFFAOYSA-N
MW501.39 g/mol
LogP4.53
Rot. Bonds4

About 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine

4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine (PubChem CID 141377311) has the molecular formula C25H21BrN6O and a molecular weight of 501.39 g/mol. Its IUPAC name is 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine
PubChem CID141377311
Molecular FormulaC25H21BrN6O
Molecular Weight501.39 g/mol
Exact Mass500.10
IUPAC Name4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine
SMILESBrc1cccc(-c2ccc3nnc(Cc4ccc5ncc(N6CCOCC6)cc5c4)n3n2)c1
InChIInChI=1S/C25H21BrN6O/c26-20-3-1-2-18(14-20)23-6-7-24-28-29-25(32(24)30-23)13-17-4-5-22-19(12-17)15-21(16-27-22)31-8-10-33-11-9-31/h1-7,12,14-16H,8-11,13H2
InChIKeyGTPASIJGZQEETH-UHFFFAOYSA-N
XLogP4.53
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine 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

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871
N-(3-bromophenyl)-1-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328283
N-(3-bromophenyl)-8-[2-(morpholin-4-yl)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328289
3-(6-Quinolylmethyl)-6-(3-quinolyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406043
3-(6-Quinolylmethyl)-6-(4-bromophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406223
4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582766
2-[2-[8-(4-Morpholinyl)imidazo[1,2-b]pyridazin-2-yl]ethynyl]quinoline
CID 117728632
Pyrazolo pyrimidine, 5s
CID 44520823
N-(3-bromophenyl)-1-(3-morpholin-4-ylpropyl)pyrazolo[4,3-g]quinazolin-5-amine
CID 44285249

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine?
The IUPAC name of 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine (CID 141377311) is 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine?
The canonical SMILES for 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine is Brc1cccc(-c2ccc3nnc(Cc4ccc5ncc(N6CCOCC6)cc5c4)n3n2)c1.
What is the InChIKey of 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine?
The InChIKey is GTPASIJGZQEETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN6O/c26-20-3-1-2-18(14-20)23-6-7-24-28-29-25(32(24)30-23)13-17-4-5-22-19(12-17)15-21(16-27-22)31-8-10-33-11-9-31/h1-7,12,14-16H,8-11,13H2.
What are the key properties of 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine?
4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine has a molecular weight of 501.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[6-(3-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-3-yl]morpholine is sourced from PubChem (CID 141377311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).