4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one

C15H17N3O3 — CID 43420923

IUPAC4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
SMILESCC1CN(C(=O)c2n[nH]c(=O)c3ccccc23)C(C)CO1
InChIInChI=1S/C15H17N3O3/c1-9-8-21-10(2)7-18(9)15(20)13-11-5-3-4-6-12(11)14(19)17-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyYTNVLOQSJLDCPP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.17
Rot. Bonds1

About 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one

4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one (PubChem CID 43420923) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
PubChem CID43420923
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
SMILESCC1CN(C(=O)c2n[nH]c(=O)c3ccccc23)C(C)CO1
InChIInChI=1S/C15H17N3O3/c1-9-8-21-10(2)7-18(9)15(20)13-11-5-3-4-6-12(11)14(19)17-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyYTNVLOQSJLDCPP-UHFFFAOYSA-N
XLogP1.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-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

Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-[(2R,3R)-2-(4-bromophenyl)-3-methylmorpholine-4-carbonyl]-2H-phthalazin-1-one
CID 97245138
4-[2-(4-bromophenyl)-3-methylmorpholine-4-carbonyl]-2H-phthalazin-1-one
CID 75390525
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 37332382
(1-chloroisoquinolin-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43430222
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530775
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457
4-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-2H-phthalazin-1-one
CID 119060005

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one (CID 43420923) is 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one is CC1CN(C(=O)c2n[nH]c(=O)c3ccccc23)C(C)CO1.
What is the InChIKey of 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one?
The InChIKey is YTNVLOQSJLDCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-8-21-10(2)7-18(9)15(20)13-11-5-3-4-6-12(11)14(19)17-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one?
4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one has a molecular weight of 287.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 43420923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).