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

C24H23ClN6O — CID 3235119

IUPAC6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C24H23ClN6O/c25-19-8-6-18(7-9-19)21-23(32)31(13-10-17-4-2-1-3-5-17)22-20(28-21)16-27-24(29-22)30-14-11-26-12-15-30/h1-9,16,26H,10-15H2
InChIKeyCMOKSPODUCKDTD-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.16
Rot. Bonds5

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

6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3235119) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3235119
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C24H23ClN6O/c25-19-8-6-18(7-9-19)21-23(32)31(13-10-17-4-2-1-3-5-17)22-20(28-21)16-27-24(29-22)30-14-11-26-12-15-30/h1-9,16,26H,10-15H2
InChIKeyCMOKSPODUCKDTD-UHFFFAOYSA-N
XLogP3.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.16
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-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one (CID 3235119) is 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one is O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is CMOKSPODUCKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c25-19-8-6-18(7-9-19)21-23(32)31(13-10-17-4-2-1-3-5-17)22-20(28-21)16-27-24(29-22)30-14-11-26-12-15-30/h1-9,16,26H,10-15H2.
What are the key properties of 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 446.94 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3235119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).