6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one

C22H19ClN6O — CID 3233557

IUPAC6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1
InChIInChI=1S/C22H19ClN6O/c23-16-8-6-15(7-9-16)19-21(30)29(17-4-2-1-3-5-17)20-18(26-19)14-25-22(27-20)28-12-10-24-11-13-28/h1-9,14,24H,10-13H2
InChIKeyOWRGXZDIORYMBE-UHFFFAOYSA-N
MW418.89 g/mol
LogP2.91
Rot. Bonds3

About 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one

6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233557) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3233557
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1
InChIInChI=1S/C22H19ClN6O/c23-16-8-6-15(7-9-16)19-21(30)29(17-4-2-1-3-5-17)20-18(26-19)14-25-22(27-20)28-12-10-24-11-13-28/h1-9,14,24H,10-13H2
InChIKeyOWRGXZDIORYMBE-UHFFFAOYSA-N
XLogP2.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one (CID 3233557) is 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one is O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is OWRGXZDIORYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-16-8-6-15(7-9-16)19-21(30)29(17-4-2-1-3-5-17)20-18(26-19)14-25-22(27-20)28-12-10-24-11-13-28/h1-9,14,24H,10-13H2.
What are the key properties of 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 418.89 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).