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

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Related Compounds

4-(4-benzylpiperidine-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one
CID 3270418
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 4053675
methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
CID 4249551
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072247
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20858123

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).