2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one

C21H21N3O5 — CID 4249553

IUPAC2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCOc1cc(OC)cc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C21H21N3O5/c1-27-15-11-14(12-16(13-15)28-2)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-7-9-29-10-8-23/h3-6,11-13H,7-10H2,1-2H3
InChIKeyORZZTLSQMMKWLI-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.88
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one

2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (PubChem CID 4249553) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
PubChem CID4249553
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCOc1cc(OC)cc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C21H21N3O5/c1-27-15-11-14(12-16(13-15)28-2)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-7-9-29-10-8-23/h3-6,11-13H,7-10H2,1-2H3
InChIKeyORZZTLSQMMKWLI-UHFFFAOYSA-N
XLogP1.88
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one 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 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (CID 4249553) is 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is COc1cc(OC)cc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The InChIKey is ORZZTLSQMMKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-15-11-14(12-16(13-15)28-2)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-7-9-29-10-8-23/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one has a molecular weight of 395.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is sourced from PubChem (CID 4249553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).