methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate

C14H13ClN2O4 — CID 171648200

IUPACmethyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C14H13ClN2O4/c1-20-10-5-3-9(4-6-10)8-17-13(18)11(14(19)21-2)7-12(15)16-17/h3-7H,8H2,1-2H3
InChIKeyXNXJIVJFJJGKHK-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.74
Rot. Bonds4

About methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate

methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate (PubChem CID 171648200) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
PubChem CID171648200
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Namemethyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C14H13ClN2O4/c1-20-10-5-3-9(4-6-10)8-17-13(18)11(14(19)21-2)7-12(15)16-17/h3-7H,8H2,1-2H3
InChIKeyXNXJIVJFJJGKHK-UHFFFAOYSA-N
XLogP1.74
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate 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

methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
methyl 3-chlorosulfonyl-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 167348254
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
methyl 3-(hydroxymethyl)-4-[2-[(4-methoxyphenyl)methyl]-6-methyl-3-oxopyridazin-4-yl]oxybenzoate
CID 138487716
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
4-amino-6-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896400
methyl 5-(chloromethyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422677
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate (CID 171648200) is methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate is COC(=O)c1cc(Cl)nn(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate?
The InChIKey is XNXJIVJFJJGKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-20-10-5-3-9(4-6-10)8-17-13(18)11(14(19)21-2)7-12(15)16-17/h3-7H,8H2,1-2H3.
What are the key properties of methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate?
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate has a molecular weight of 308.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 171648200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).