methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate

C17H18N2O5 — CID 153097365

IUPACmethyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)Cc1nn(CC2(C(=O)OC)CC2)c(=O)c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-23-14(20)9-13-11-5-3-4-6-12(11)15(21)19(18-13)10-17(7-8-17)16(22)24-2/h3-6H,7-10H2,1-2H3
InChIKeyVQJSAIYWCVTXTQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.07
Rot. Bonds5

About methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate

methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate (PubChem CID 153097365) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate
PubChem CID153097365
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namemethyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)Cc1nn(CC2(C(=O)OC)CC2)c(=O)c2ccccc12
InChIInChI=1S/C17H18N2O5/c1-23-14(20)9-13-11-5-3-4-6-12(11)15(21)19(18-13)10-17(7-8-17)16(22)24-2/h3-6H,7-10H2,1-2H3
InChIKeyVQJSAIYWCVTXTQ-UHFFFAOYSA-N
XLogP1.07
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate 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

methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate
CID 166812548
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
ethyl 2-[3-(hydroxymethyl)-4-oxophthalazin-1-yl]acetate
CID 14519538
methyl 2-[4-oxo-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]methyl]phthalazin-1-yl]acetate
CID 24962292
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
CID 2779137
1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
methyl 2-(4-chlorophthalazin-1-yl)acetate
CID 117272900
2-(4-ethyl-1-oxophthalazin-2-yl)acetate
CID 6946724
ethyl 3-(3-ethyl-4-oxophthalazin-1-yl)propanoate
CID 793412
2-(3-benzyl-4-oxophthalazin-1-yl)acetate
CID 6944489
(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate
CID 142710333

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate (CID 153097365) is methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate is COC(=O)Cc1nn(CC2(C(=O)OC)CC2)c(=O)c2ccccc12.
What is the InChIKey of methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate?
The InChIKey is VQJSAIYWCVTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-14(20)9-13-11-5-3-4-6-12(11)15(21)19(18-13)10-17(7-8-17)16(22)24-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate?
methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 153097365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).