morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone

C20H27N5O2 — CID 42690972

IUPACmorpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
SMILESCC(C)N1CCN(c2nnc(C(=O)N3CCOCC3)c3ccccc23)CC1
InChIInChI=1S/C20H27N5O2/c1-15(2)23-7-9-24(10-8-23)19-17-6-4-3-5-16(17)18(21-22-19)20(26)25-11-13-27-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeySZQTVTRHPUIGMD-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.63
Rot. Bonds3

About morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone

morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone (PubChem CID 42690972) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
PubChem CID42690972
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Namemorpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
SMILESCC(C)N1CCN(c2nnc(C(=O)N3CCOCC3)c3ccccc23)CC1
InChIInChI=1S/C20H27N5O2/c1-15(2)23-7-9-24(10-8-23)19-17-6-4-3-5-16(17)18(21-22-19)20(26)25-11-13-27-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeySZQTVTRHPUIGMD-UHFFFAOYSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone 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-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 42878357
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
CID 42878324
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone (CID 42690972) is morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone is CC(C)N1CCN(c2nnc(C(=O)N3CCOCC3)c3ccccc23)CC1.
What is the InChIKey of morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone?
The InChIKey is SZQTVTRHPUIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)23-7-9-24(10-8-23)19-17-6-4-3-5-16(17)18(21-22-19)20(26)25-11-13-27-14-12-25/h3-6,15H,7-14H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone?
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone is sourced from PubChem (CID 42690972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).