1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione

C22H16N4O2 — CID 11046837

IUPAC1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc3cc(-c4ccccc4)ccn3c12
InChIInChI=1S/C22H16N4O2/c27-21-19-20(26(22(28)24-21)14-15-7-3-1-4-8-15)23-18-13-17(11-12-25(18)19)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27,28)
InChIKeyWYLMIXDGNXKIMI-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.05
Rot. Bonds3

About 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione

1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione (PubChem CID 11046837) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione
PubChem CID11046837
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2nc3cc(-c4ccccc4)ccn3c12
InChIInChI=1S/C22H16N4O2/c27-21-19-20(26(22(28)24-21)14-15-7-3-1-4-8-15)23-18-13-17(11-12-25(18)19)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27,28)
InChIKeyWYLMIXDGNXKIMI-UHFFFAOYSA-N
XLogP3.05
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione (CID 11046837) is 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c2nc3cc(-c4ccccc4)ccn3c12.
What is the InChIKey of 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione?
The InChIKey is WYLMIXDGNXKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-21-19-20(26(22(28)24-21)14-15-7-3-1-4-8-15)23-18-13-17(11-12-25(18)19)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27,28).
What are the key properties of 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione?
1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione has a molecular weight of 368.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-phenylpurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 11046837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).