3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide

C20H21N3O5 — CID 3245020

IUPAC3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide
SMILESCOCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O5/c1-26-9-8-21-19(24)18-16-6-4-5-7-17(16)20(25)23(22-18)13-10-14(27-2)12-15(11-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyGBHKNWFNCZFKRN-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.78
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide

3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3245020) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide
PubChem CID3245020
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide
SMILESCOCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O5/c1-26-9-8-21-19(24)18-16-6-4-5-7-17(16)20(25)23(22-18)13-10-14(27-2)12-15(11-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)
InChIKeyGBHKNWFNCZFKRN-UHFFFAOYSA-N
XLogP1.78
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide (CID 3245020) is 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide is COCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is GBHKNWFNCZFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-9-8-21-19(24)18-16-6-4-5-7-17(16)20(25)23(22-18)13-10-14(27-2)12-15(11-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide?
3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3245020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).