7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol

C53H49N15O3 — CID 158975816

IUPAC7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol
SMILESN#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.Oc1cc2cccnc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C18H16N6O.C18H16N4O.C17H17N5O/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;23-18-10-13-2-1-7-20-17(13)11-14(18)16-4-3-15(21-22-16)12-5-8-19-9-6-12;23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-10,20,25H,5-8H2;1-5,7,10-11,19,23H,6,8-9H2;1-4,9-11,18,23H,5-8H2
InChIKeyJOJNOVZWWVIRJB-UHFFFAOYSA-N
MW944.08 g/mol
LogP6.26
Rot. Bonds6

About 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol

7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol (PubChem CID 158975816) has the molecular formula C53H49N15O3 and a molecular weight of 944.08 g/mol. Its IUPAC name is 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol
PubChem CID158975816
Molecular FormulaC53H49N15O3
Molecular Weight944.08 g/mol
Exact Mass943.41
IUPAC Name7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol
SMILESN#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.Oc1cc2cccnc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C18H16N6O.C18H16N4O.C17H17N5O/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;23-18-10-13-2-1-7-20-17(13)11-14(18)16-4-3-15(21-22-16)12-5-8-19-9-6-12;23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-10,20,25H,5-8H2;1-5,7,10-11,19,23H,6,8-9H2;1-4,9-11,18,23H,5-8H2
InChIKeyJOJNOVZWWVIRJB-UHFFFAOYSA-N
XLogP6.26
TPSA243.06 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500944.08
LogP ≤ 56.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol with MolForge

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Related Compounds

7-Hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-3-carbonitrile
CID 136607535
7-[6-(1-Piperazinyl)-3-pyridazinyl]-6-isoquinolinol
CID 136607582
7-Hydroxy-6-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinoline-1-carbonitrile
CID 136607584
6-Hydroxy-7-[6-(1-piperazinyl)-3-pyridazinyl]-2-quinolinecarbonitrile
CID 136607591
7-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
CID 136607596
7-Hydroxy-6-[6-(1-piperazinyl)-3-pyridazinyl]-2-quinolinecarbonitrile
CID 136607614
3-Methyl-7-[6-(1-piperazinyl)-3-pyridazinyl]-6-isoquinolinol
CID 136607615
6-Hydroxy-7-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinoline-1-carbonitrile
CID 136933126
3-[(Z)-2-(methylamino)-1-(methylideneamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 137197267
3-[(Z)-1,2-bis(methylamino)ethenyl]-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 137197270
6-(6-Piperazin-1-ylpyridazin-3-yl)quinolin-7-ol
CID 138630098
7-(6-Piperazin-1-ylpyridazin-3-yl)quinolin-6-ol
CID 138630109

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol (CID 158975816) is 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol is N#Cc1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.Oc1cc2cccnc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?
The InChIKey is JOJNOVZWWVIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C18H16N4O.C17H17N5O/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;23-18-10-13-2-1-7-20-17(13)11-14(18)16-4-3-15(21-22-16)12-5-8-19-9-6-12;23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-10,20,25H,5-8H2;1-5,7,10-11,19,23H,6,8-9H2;1-4,9-11,18,23H,5-8H2.
What are the key properties of 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?
7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol has a molecular weight of 944.08 g/mol, XLogP of 6.26, 6 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(6-piperazin-1-ylpyridazin-3-yl)quinoline-2-carbonitrile;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 158975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).