2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate

C19H19N3O5 — CID 30682303

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1=O
InChIInChI=1S/C19H19N3O5/c1-2-3-10-22-16(23)9-8-15(20-22)19(26)27-12-11-21-17(24)13-6-4-5-7-14(13)18(21)25/h4-9H,2-3,10-12H2,1H3
InChIKeyUGWBVEHURWSQON-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.50
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 30682303) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID30682303
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1=O
InChIInChI=1S/C19H19N3O5/c1-2-3-10-22-16(23)9-8-15(20-22)19(26)27-12-11-21-17(24)13-6-4-5-7-14(13)18(21)25/h4-9H,2-3,10-12H2,1H3
InChIKeyUGWBVEHURWSQON-UHFFFAOYSA-N
XLogP1.50
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310852
(2-ethoxyphenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 78770287
(2-oxo-2-phenothiazin-10-ylethyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695655
2-(1,3-dioxoisoindol-2-yl)ethyl 1-phenylpyrazole-3-carboxylate
CID 51114637
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695777
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 32799796
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55400244

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate (CID 30682303) is 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is UGWBVEHURWSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-3-10-22-16(23)9-8-15(20-22)19(26)27-12-11-21-17(24)13-6-4-5-7-14(13)18(21)25/h4-9H,2-3,10-12H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 30682303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).