1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione

C23H18N4O2 — CID 10970979

IUPAC1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione
SMILESO=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyMRCLOFVOQWMJPM-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.91
Rot. Bonds4

About 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione

1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione (PubChem CID 10970979) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione
PubChem CID10970979
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione
SMILESO=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyMRCLOFVOQWMJPM-UHFFFAOYSA-N
XLogP2.91
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione (CID 10970979) is 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione is O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione?
The InChIKey is MRCLOFVOQWMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione?
1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylpurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 10970979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).