7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile

C18H16N6O — CID 136607614

IUPAC7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1
InChIInChI=1S/C18H16N6O/c19-11-13-2-1-12-9-14(17(25)10-16(12)21-13)15-3-4-18(23-22-15)24-7-5-20-6-8-24/h1-4,9-10,20,25H,5-8H2
InChIKeyHFDKNFYGTRBYDP-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.68
Rot. Bonds2

About 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile

7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile (PubChem CID 136607614) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile
PubChem CID136607614
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1
InChIInChI=1S/C18H16N6O/c19-11-13-2-1-12-9-14(17(25)10-16(12)21-13)15-3-4-18(23-22-15)24-7-5-20-6-8-24/h1-4,9-10,20,25H,5-8H2
InChIKeyHFDKNFYGTRBYDP-UHFFFAOYSA-N
XLogP1.68
TPSA97.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile 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 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile?
The IUPAC name of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile (CID 136607614) is 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile?
The canonical SMILES for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile is N#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.
What is the InChIKey of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile?
The InChIKey is HFDKNFYGTRBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c19-11-13-2-1-12-9-14(17(25)10-16(12)21-13)15-3-4-18(23-22-15)24-7-5-20-6-8-24/h1-4,9-10,20,25H,5-8H2.
What are the key properties of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile?
7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 136607614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).