2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

C18H19ClN4O4 — CID 83272210

IUPAC2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)cc1Cl
InChIInChI=1S/C18H19ClN4O4/c1-11(24)22-6-5-15-12(9-22)7-18(26)23(21-15)10-17(25)20-13-3-4-16(27-2)14(19)8-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyUPIGHUJHUOYRMG-UHFFFAOYSA-N
MW390.83 g/mol
LogP1.45
Rot. Bonds4

About 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 83272210) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID83272210
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)cc1Cl
InChIInChI=1S/C18H19ClN4O4/c1-11(24)22-6-5-15-12(9-22)7-18(26)23(21-15)10-17(25)20-13-3-4-16(27-2)14(19)8-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyUPIGHUJHUOYRMG-UHFFFAOYSA-N
XLogP1.45
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide 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

2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3,5-difluorophenyl)acetamide
CID 83272211
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75466080
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 2242183
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 53201453
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
methyl 4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]benzoate
CID 52902310
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 83272210) is 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(C)=O)CC3)cc1Cl.
What is the InChIKey of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is UPIGHUJHUOYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-11(24)22-6-5-15-12(9-22)7-18(26)23(21-15)10-17(25)20-13-3-4-16(27-2)14(19)8-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25).
What are the key properties of 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 390.83 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 83272210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).