[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C14H13Cl2N3O4 — CID 27727767

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCN1N=C(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CCC1=O
InChIInChI=1S/C14H13Cl2N3O4/c1-19-12(21)6-5-10(18-19)14(22)23-7-11(20)17-9-4-2-3-8(15)13(9)16/h2-4H,5-7H2,1H3,(H,17,20)
InChIKeyQHWNBEHRVILWMF-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.08
Rot. Bonds4

About [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 27727767) has the molecular formula C14H13Cl2N3O4 and a molecular weight of 358.18 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID27727767
Molecular FormulaC14H13Cl2N3O4
Molecular Weight358.18 g/mol
Exact Mass357.03
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCN1N=C(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CCC1=O
InChIInChI=1S/C14H13Cl2N3O4/c1-19-12(21)6-5-10(18-19)14(22)23-7-11(20)17-9-4-2-3-8(15)13(9)16/h2-4H,5-7H2,1H3,(H,17,20)
InChIKeyQHWNBEHRVILWMF-UHFFFAOYSA-N
XLogP2.08
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-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

[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 39866549
[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561437
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204311
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)oxymethyl]phenyl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449781
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-[(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449518
cis-[2-(2,3-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020700
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23962126

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 27727767) is [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is CN1N=C(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CCC1=O.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is QHWNBEHRVILWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4/c1-19-12(21)6-5-10(18-19)14(22)23-7-11(20)17-9-4-2-3-8(15)13(9)16/h2-4H,5-7H2,1H3,(H,17,20).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 358.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 27727767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).