4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one

C18H23N3O3 — CID 2594981

IUPAC4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-4-9-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20-10-12(2)24-13(3)11-20/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyVAEZWFAZOSYNES-STQMWFEESA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds3

About 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one

4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one (PubChem CID 2594981) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
PubChem CID2594981
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-4-9-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20-10-12(2)24-13(3)11-20/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyVAEZWFAZOSYNES-STQMWFEESA-N
XLogP2.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-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

4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-pentylphthalazin-1-one;hydrochloride
CID 120656192
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-propylphthalazin-1-one
CID 35366950
4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 24567052
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-2-propylphthalazin-1-one
CID 27446764

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one (CID 2594981) is 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one?
The InChIKey is VAEZWFAZOSYNES-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-9-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20-10-12(2)24-13(3)11-20/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one?
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one is sourced from PubChem (CID 2594981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).