5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

C13H12ClN3O2 — CID 146218622

IUPAC5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESCOc1cccc2c1CN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-8-6-17(7-9(8)11)10-5-15-16-13(18)12(10)14/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyCFTWLNJCRLXYKB-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.95
Rot. Bonds2

About 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (PubChem CID 146218622) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
PubChem CID146218622
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESCOc1cccc2c1CN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-8-6-17(7-9(8)11)10-5-15-16-13(18)12(10)14/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyCFTWLNJCRLXYKB-UHFFFAOYSA-N
XLogP1.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one 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 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (CID 146218622) is 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is COc1cccc2c1CN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The InChIKey is CFTWLNJCRLXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-8-6-17(7-9(8)11)10-5-15-16-13(18)12(10)14/h2-5H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one has a molecular weight of 277.71 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 146218622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).