2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one

C17H12N2O — CID 663273

IUPAC2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one
SMILESO=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2
InChIInChI=1S/C17H12N2O/c20-16-10-15(12-6-2-1-3-7-12)18-17-14-9-5-4-8-13(14)11-19(16)17/h1-10H,11H2
InChIKeyQGYKUCMSHKXQNQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.94
Rot. Bonds1

About 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one

2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one (PubChem CID 663273) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one.

Molecular Properties

Compound Name2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one
PubChem CID663273
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one
SMILESO=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2
InChIInChI=1S/C17H12N2O/c20-16-10-15(12-6-2-1-3-7-12)18-17-14-9-5-4-8-13(14)11-19(16)17/h1-10H,11H2
InChIKeyQGYKUCMSHKXQNQ-UHFFFAOYSA-N
XLogP2.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one?
The IUPAC name of 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one (CID 663273) is 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one.
What is the SMILES notation for 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one?
The canonical SMILES for 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one is O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2.
What is the InChIKey of 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one?
The InChIKey is QGYKUCMSHKXQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-16-10-15(12-6-2-1-3-7-12)18-17-14-9-5-4-8-13(14)11-19(16)17/h1-10H,11H2.
What are the key properties of 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one?
2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one has a molecular weight of 260.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6H-pyrimido[2,1-a]isoindol-4-one is sourced from PubChem (CID 663273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).