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

C18H19N3O4 — CID 67918113

IUPAC2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile
SMILESCOCC1(C)CC(Oc2ccc(=O)n(C)n2)c2cc(C#N)ccc2O1
InChIInChI=1S/C18H19N3O4/c1-18(11-23-3)9-15(24-16-6-7-17(22)21(2)20-16)13-8-12(10-19)4-5-14(13)25-18/h4-8,15H,9,11H2,1-3H3
InChIKeyGBYDZKWAVTVNPY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.96
Rot. Bonds4

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

2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile (PubChem CID 67918113) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile
PubChem CID67918113
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile
SMILESCOCC1(C)CC(Oc2ccc(=O)n(C)n2)c2cc(C#N)ccc2O1
InChIInChI=1S/C18H19N3O4/c1-18(11-23-3)9-15(24-16-6-7-17(22)21(2)20-16)13-8-12(10-19)4-5-14(13)25-18/h4-8,15H,9,11H2,1-3H3
InChIKeyGBYDZKWAVTVNPY-UHFFFAOYSA-N
XLogP1.96
TPSA86.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-2-(methoxymethyl)-2-methyl-3,4-dihydrochromene-6-carbonitrile
CID 15056480
4-(1-ethyl-6-oxopyridazin-3-yl)oxy-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 14739603
(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(1-methyl-6-oxopyridazin-3-yl)amino]-3,4-dihydrochromene-6-carbonitrile
CID 22846571
3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 22122894
methyl 2-(methoxymethyl)-2,3-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carboxylate
CID 67918023
(3S,4R)-3-hydroxy-4-[[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile
CID 10646288
(3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-methylsulfonylethyl)-6-oxopyridazin-3-yl]amino]-3,4-dihydrochromene-6-carbonitrile
CID 22882638
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
4-[1-(2-aminoethyl)-6-oxopyridazin-3-yl]-3,3-dihydroxy-2,2-dimethyl-4H-chromene-6-carbonitrile
CID 54090774
4-(3,6-dioxo-1H-pyridazin-2-yl)-3-hydroxy-2,2,3-trimethyl-4H-chromene-6-carbonitrile
CID 14517989
3-(methoxymethyl)-3-methyl-1,4-dihydroisochromene-7-carbonitrile
CID 57006900
3-hydroxy-4-(4-methoxy-2-oxo-1-pyridinyl)-2,2,3-trimethyl-4H-chromene-6-carbonitrile
CID 22122890

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile?
The IUPAC name of 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile (CID 67918113) is 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile is COCC1(C)CC(Oc2ccc(=O)n(C)n2)c2cc(C#N)ccc2O1.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile?
The InChIKey is GBYDZKWAVTVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(11-23-3)9-15(24-16-6-7-17(22)21(2)20-16)13-8-12(10-19)4-5-14(13)25-18/h4-8,15H,9,11H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile?
2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile is sourced from PubChem (CID 67918113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).