2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C17H21N3O5 — CID 51973992

IUPAC2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1OC
InChIInChI=1S/C17H21N3O5/c1-23-13-6-5-11-8-19-20(17(22)15(11)16(13)24-2)10-14(21)18-9-12-4-3-7-25-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyIIDVUKADWXGHQP-GFCCVEGCSA-N
MW347.37 g/mol
LogP0.71
Rot. Bonds6

About 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 51973992) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID51973992
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1OC
InChIInChI=1S/C17H21N3O5/c1-23-13-6-5-11-8-19-20(17(22)15(11)16(13)24-2)10-14(21)18-9-12-4-3-7-25-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyIIDVUKADWXGHQP-GFCCVEGCSA-N
XLogP0.71
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide 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

N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 7671768
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
2-[8-(4-methoxyphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40842952
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40884901
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 5308120
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97458821
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 51973992) is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccc2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IIDVUKADWXGHQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-23-13-6-5-11-8-19-20(17(22)15(11)16(13)24-2)10-14(21)18-9-12-4-3-7-25-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51973992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).