methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate

C21H23N3O6 — CID 108776393

IUPACmethyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)nn1
InChIInChI=1S/C21H23N3O6/c1-27-16-6-4-13-15(25)12-21(30-18(13)19(16)28-2)8-10-24(11-9-21)17-7-5-14(22-23-17)20(26)29-3/h4-7H,8-12H2,1-3H3
InChIKeyBGCINIDZXOQAQF-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.28
Rot. Bonds4

About methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate

methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate (PubChem CID 108776393) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
PubChem CID108776393
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Namemethyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)nn1
InChIInChI=1S/C21H23N3O6/c1-27-16-6-4-13-15(25)12-21(30-18(13)19(16)28-2)8-10-24(11-9-21)17-7-5-14(22-23-17)20(26)29-3/h4-7H,8-12H2,1-3H3
InChIKeyBGCINIDZXOQAQF-UHFFFAOYSA-N
XLogP2.28
TPSA100.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774860
methyl 6-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774813
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
N-(4-chlorophenyl)-7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782741
7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
1'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762667
7,8-dimethoxy-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762628
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
1'-(2,4-dichlorobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740027
7,8-dimethoxy-1'-(4-pyrrol-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739978

Frequently Asked Questions

What is the IUPAC name of methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate (CID 108776393) is methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)nn1.
What is the InChIKey of methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The InChIKey is BGCINIDZXOQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-27-16-6-4-13-15(25)12-21(30-18(13)19(16)28-2)8-10-24(11-9-21)17-7-5-14(22-23-17)20(26)29-3/h4-7H,8-12H2,1-3H3.
What are the key properties of methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 108776393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).