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

C23H22N6O2 — CID 3233475

IUPAC8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)cc1
InChIInChI=1S/C23H22N6O2/c1-31-18-9-7-17(8-10-18)29-21-19(15-25-23(27-21)28-13-11-24-12-14-28)26-20(22(29)30)16-5-3-2-4-6-16/h2-10,15,24H,11-14H2,1H3
InChIKeyDNQNHMBKMMGDBJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.26
Rot. Bonds4

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

8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233475) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3233475
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)cc1
InChIInChI=1S/C23H22N6O2/c1-31-18-9-7-17(8-10-18)29-21-19(15-25-23(27-21)28-13-11-24-12-14-28)26-20(22(29)30)16-5-3-2-4-6-16/h2-10,15,24H,11-14H2,1H3
InChIKeyDNQNHMBKMMGDBJ-UHFFFAOYSA-N
XLogP2.26
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one (CID 3233475) is 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is DNQNHMBKMMGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-31-18-9-7-17(8-10-18)29-21-19(15-25-23(27-21)28-13-11-24-12-14-28)26-20(22(29)30)16-5-3-2-4-6-16/h2-10,15,24H,11-14H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one?
8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 414.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-phenyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).