4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

C20H27N5O5S — CID 55563618

IUPAC4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H27N5O5S/c1-15(2)25-19(26)17-6-4-3-5-16(17)18(21-25)20(27)22-7-9-23(10-8-22)31(28,29)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyQSCQQRAIELZBRG-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.31
Rot. Bonds4

About 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one

4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (PubChem CID 55563618) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
PubChem CID55563618
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H27N5O5S/c1-15(2)25-19(26)17-6-4-3-5-16(17)18(21-25)20(27)22-7-9-23(10-8-22)31(28,29)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyQSCQQRAIELZBRG-UHFFFAOYSA-N
XLogP0.31
TPSA105.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-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

CID 971523
CID 971523
CID 2476953
CID 2476953
CID 661948
CID 661948
CID 969879
CID 969879
CID 1267789
CID 1267789
CID 3236946
CID 3236946
CID 659417
CID 659417
CID 661904
CID 661904
CID 1291171
CID 1291171
CID 2093024
CID 2093024
CID 2453312
CID 2453312
CID 2533203
CID 2533203

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one (CID 55563618) is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is CC(C)n1nc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
The InChIKey is QSCQQRAIELZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-15(2)25-19(26)17-6-4-3-5-16(17)18(21-25)20(27)22-7-9-23(10-8-22)31(28,29)24-11-13-30-14-12-24/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one?
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one has a molecular weight of 449.53 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 55563618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).