2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one

C15H19Cl2N3O2 — CID 18776705

IUPAC2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC2CCCCC2C1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-7-18-20(15(22)14(12)17)9-13(21)19-6-5-10-3-1-2-4-11(10)8-19/h7,10-11H,1-6,8-9H2
InChIKeyXBOGJRISYVZXHD-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.59
Rot. Bonds2

About 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one (PubChem CID 18776705) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
PubChem CID18776705
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC2CCCCC2C1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-7-18-20(15(22)14(12)17)9-13(21)19-6-5-10-3-1-2-4-11(10)8-19/h7,10-11H,1-6,8-9H2
InChIKeyXBOGJRISYVZXHD-UHFFFAOYSA-N
XLogP2.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one 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

4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
CID 72838190
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 154834841
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6-dichloroisoindole-1,3-dione
CID 66795078
4,5-dichloro-2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2093925
4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 46605780
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9489790
4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 8520544
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
(2R,6S)-4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 66794901
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide
CID 162727148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one (CID 18776705) is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCC2CCCCC2C1.
What is the InChIKey of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one?
The InChIKey is XBOGJRISYVZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-12-7-18-20(15(22)14(12)17)9-13(21)19-6-5-10-3-1-2-4-11(10)8-19/h7,10-11H,1-6,8-9H2.
What are the key properties of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one?
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one has a molecular weight of 344.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 18776705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).