3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol

C18H19N5O — CID 136607615

IUPAC3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
SMILESCc1cc2cc(O)c(-c3ccc(N4CCNCC4)nn3)cc2cn1
InChIInChI=1S/C18H19N5O/c1-12-8-13-10-17(24)15(9-14(13)11-20-12)16-2-3-18(22-21-16)23-6-4-19-5-7-23/h2-3,8-11,19,24H,4-7H2,1H3
InChIKeyIZQLWNLOMDVYNM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.12
Rot. Bonds2

About 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol

3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol (PubChem CID 136607615) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol.

Molecular Properties

Compound Name3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
PubChem CID136607615
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
SMILESCc1cc2cc(O)c(-c3ccc(N4CCNCC4)nn3)cc2cn1
InChIInChI=1S/C18H19N5O/c1-12-8-13-10-17(24)15(9-14(13)11-20-12)16-2-3-18(22-21-16)23-6-4-19-5-7-23/h2-3,8-11,19,24H,4-7H2,1H3
InChIKeyIZQLWNLOMDVYNM-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The IUPAC name of 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol (CID 136607615) is 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol.
What is the SMILES notation for 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The canonical SMILES for 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol is Cc1cc2cc(O)c(-c3ccc(N4CCNCC4)nn3)cc2cn1.
What is the InChIKey of 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The InChIKey is IZQLWNLOMDVYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-8-13-10-17(24)15(9-14(13)11-20-12)16-2-3-18(22-21-16)23-6-4-19-5-7-23/h2-3,8-11,19,24H,4-7H2,1H3.
What are the key properties of 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol has a molecular weight of 321.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol is sourced from PubChem (CID 136607615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).