2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one

C21H21N3O3 — CID 41247250

IUPAC2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
SMILESC[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1
InChIInChI=1S/C21H21N3O3/c1-15-13-23(11-12-27-15)21(26)19-17-9-5-6-10-18(17)20(25)24(22-19)14-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m1/s1
InChIKeyXTTBKQKCEKHUPG-OAHLLOKOSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds3

About 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one

2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one (PubChem CID 41247250) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
PubChem CID41247250
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
SMILESC[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1
InChIInChI=1S/C21H21N3O3/c1-15-13-23(11-12-27-15)21(26)19-17-9-5-6-10-18(17)20(25)24(22-19)14-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m1/s1
InChIKeyXTTBKQKCEKHUPG-OAHLLOKOSA-N
XLogP2.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-4-[(2R)-2-methylmorpholine-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

Related Compounds

(2S)-4-(3-benzyl-4-oxophthalazine-1-carbonyl)morpholine-2-carboxylic acid
CID 125151520
2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
CID 119491082
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
2-benzyl-4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phthalazin-1-one
CID 99807086
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-benzylphthalazin-1-one
CID 120809545
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
CID 55903511
2-benzyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3942601
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one?
The IUPAC name of 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one (CID 41247250) is 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one is C[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCO1.
What is the InChIKey of 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one?
The InChIKey is XTTBKQKCEKHUPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-13-23(11-12-27-15)21(26)19-17-9-5-6-10-18(17)20(25)24(22-19)14-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one?
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one has a molecular weight of 363.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one is sourced from PubChem (CID 41247250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).