methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate

C20H24N2O6 — CID 67918023

IUPACmethyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate
SMILESCOCC1(C)Oc2ccc(C(=O)OC)cc2C(Oc2ccc(=O)n(C)n2)C1C
InChIInChI=1S/C20H24N2O6/c1-12-18(27-16-8-9-17(23)22(3)21-16)14-10-13(19(24)26-5)6-7-15(14)28-20(12,2)11-25-4/h6-10,12,18H,11H2,1-5H3
InChIKeyKOTYYCNFQFMDKU-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.12
Rot. Bonds5

About methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate

methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate (PubChem CID 67918023) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate
PubChem CID67918023
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Namemethyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate
SMILESCOCC1(C)Oc2ccc(C(=O)OC)cc2C(Oc2ccc(=O)n(C)n2)C1C
InChIInChI=1S/C20H24N2O6/c1-12-18(27-16-8-9-17(23)22(3)21-16)14-10-13(19(24)26-5)6-7-15(14)28-20(12,2)11-25-4/h6-10,12,18H,11H2,1-5H3
InChIKeyKOTYYCNFQFMDKU-UHFFFAOYSA-N
XLogP2.12
TPSA88.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate with MolForge

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Related Compounds

methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate
CID 19888538
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxylate
CID 160609080
6-[[6-(3-hydroxyphenyl)sulfinyl-2,2,3-trimethyl-3,4-dihydrochromen-4-yl]oxy]-2-methylpyridazin-3-one
CID 143172946
2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile
CID 67918113
methyl (1S,9S)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386353
methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
CID 14511159
methyl (1R,9S)-9-methyl-10-(4-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 98168219
methyl (1R,9R)-9-methyl-10-(4-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386362
methyl (3S,4R)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 57158233
methyl (1S,9R)-10-(4-methoxycarbonylphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 51017554
methyl (1R,9R)-10-ethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7246359
methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 14182559

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate (CID 67918023) is methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate is COCC1(C)Oc2ccc(C(=O)OC)cc2C(Oc2ccc(=O)n(C)n2)C1C.
What is the InChIKey of methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate?
The InChIKey is KOTYYCNFQFMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-12-18(27-16-8-9-17(23)22(3)21-16)14-10-13(19(24)26-5)6-7-15(14)28-20(12,2)11-25-4/h6-10,12,18H,11H2,1-5H3.
What are the key properties of methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate?
methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate is sourced from PubChem (CID 67918023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).