methyl 2-methyl-1-oxophthalazine-5-carboxylate

C11H10N2O3 — CID 167974102

IUPACmethyl 2-methyl-1-oxophthalazine-5-carboxylate
SMILESCOC(=O)c1cccc2c(=O)n(C)ncc12
InChIInChI=1S/C11H10N2O3/c1-13-10(14)7-4-3-5-8(11(15)16-2)9(7)6-12-13/h3-6H,1-2H3
InChIKeySJHOEYSSFROUAQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.72
Rot. Bonds1

About methyl 2-methyl-1-oxophthalazine-5-carboxylate

methyl 2-methyl-1-oxophthalazine-5-carboxylate (PubChem CID 167974102) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-methyl-1-oxophthalazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-oxophthalazine-5-carboxylate
PubChem CID167974102
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-methyl-1-oxophthalazine-5-carboxylate
SMILESCOC(=O)c1cccc2c(=O)n(C)ncc12
InChIInChI=1S/C11H10N2O3/c1-13-10(14)7-4-3-5-8(11(15)16-2)9(7)6-12-13/h3-6H,1-2H3
InChIKeySJHOEYSSFROUAQ-UHFFFAOYSA-N
XLogP0.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
methyl 1,4-dimethylindazole-7-carboxylate
CID 58524149
methyl 1-pentylindazole-4-carboxylate
CID 90379283
methyl 2H-isoindole-4-carboxylate
CID 71773027
methyl 4-bromo-1-methylindazole-7-carboxylate
CID 131382955
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 1-(2-azidoethyl)indazole-4-carboxylate
CID 129300487
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-oxo-1H-quinazoline-5-carboxylate
CID 174971461
3-methyl-4-oxophthalazine-5-carboxylic acid
CID 12955517
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-tert-butyl-2-methyl-1-oxoisoquinoline-5-carboxylate
CID 170903407

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-oxophthalazine-5-carboxylate?
The IUPAC name of methyl 2-methyl-1-oxophthalazine-5-carboxylate (CID 167974102) is methyl 2-methyl-1-oxophthalazine-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-oxophthalazine-5-carboxylate?
The canonical SMILES for methyl 2-methyl-1-oxophthalazine-5-carboxylate is COC(=O)c1cccc2c(=O)n(C)ncc12.
What is the InChIKey of methyl 2-methyl-1-oxophthalazine-5-carboxylate?
The InChIKey is SJHOEYSSFROUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-10(14)7-4-3-5-8(11(15)16-2)9(7)6-12-13/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-1-oxophthalazine-5-carboxylate?
methyl 2-methyl-1-oxophthalazine-5-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-oxophthalazine-5-carboxylate is sourced from PubChem (CID 167974102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).