methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate

C24H19N3O5 — CID 20970753

IUPACmethyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12
InChIInChI=1S/C24H19N3O5/c1-31-20-14-8-7-13-19(20)27-23(29)16-10-4-3-9-15(16)21(26-27)22(28)25-18-12-6-5-11-17(18)24(30)32-2/h3-14H,1-2H3,(H,25,28)
InChIKeyDYDLPCAVWBYOHL-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.43
Rot. Bonds5

About methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate

methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate (PubChem CID 20970753) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
PubChem CID20970753
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Namemethyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12
InChIInChI=1S/C24H19N3O5/c1-31-20-14-8-7-13-19(20)27-23(29)16-10-4-3-9-15(16)21(26-27)22(28)25-18-12-6-5-11-17(18)24(30)32-2/h3-14H,1-2H3,(H,25,28)
InChIKeyDYDLPCAVWBYOHL-UHFFFAOYSA-N
XLogP3.43
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503216
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 3712402
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
methyl 4-(difluoromethoxy)-5-methoxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 55519315
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate (CID 20970753) is methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12.
What is the InChIKey of methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate?
The InChIKey is DYDLPCAVWBYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-31-20-14-8-7-13-19(20)27-23(29)16-10-4-3-9-15(16)21(26-27)22(28)25-18-12-6-5-11-17(18)24(30)32-2/h3-14H,1-2H3,(H,25,28).
What are the key properties of methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate?
methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate has a molecular weight of 429.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 20970753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).