ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

C24H32N4O6 — CID 83273681

IUPACethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(OCC)c(OCC)c3)c(=O)cc2C1
InChIInChI=1S/C24H32N4O6/c1-4-32-20-8-7-17(13-21(20)33-5-2)9-11-25-22(29)16-28-23(30)14-18-15-27(24(31)34-6-3)12-10-19(18)26-28/h7-8,13-14H,4-6,9-12,15-16H2,1-3H3,(H,25,29)
InChIKeyMBRYQXVULJLAAV-UHFFFAOYSA-N
MW472.54 g/mol
LogP1.91
Rot. Bonds10

About ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (PubChem CID 83273681) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
PubChem CID83273681
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Nameethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(OCC)c(OCC)c3)c(=O)cc2C1
InChIInChI=1S/C24H32N4O6/c1-4-32-20-8-7-17(13-21(20)33-5-2)9-11-25-22(29)16-28-23(30)14-18-15-27(24(31)34-6-3)12-10-19(18)26-28/h7-8,13-14H,4-6,9-12,15-16H2,1-3H3,(H,25,29)
InChIKeyMBRYQXVULJLAAV-UHFFFAOYSA-N
XLogP1.91
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-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

ethyl 2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369799
ethyl 2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369808
ethyl 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 51369781
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
ethyl 2-[3-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 5199582
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
ethyl 3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 75510653
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3241840
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 3277505

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (CID 83273681) is ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is CCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(OCC)c(OCC)c3)c(=O)cc2C1.
What is the InChIKey of ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The InChIKey is MBRYQXVULJLAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-4-32-20-8-7-17(13-21(20)33-5-2)9-11-25-22(29)16-28-23(30)14-18-15-27(24(31)34-6-3)12-10-19(18)26-28/h7-8,13-14H,4-6,9-12,15-16H2,1-3H3,(H,25,29).
What are the key properties of ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 83273681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).