6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one

C34H25N3O — CID 102405292

IUPAC6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(-c2ccccc2)c(=O)c1/C=C/c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C34H25N3O/c1-24-29(34(38)37(28-17-9-4-10-18-28)33(35-24)26-15-7-3-8-16-26)22-21-27-23-32(25-13-5-2-6-14-25)36-31-20-12-11-19-30(27)31/h2-23H,1H3/b22-21+
InChIKeyFPHTVRWNEUEGGK-QURGRASLSA-N
MW491.59 g/mol
LogP7.59
Rot. Bonds5

About 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one

6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one (PubChem CID 102405292) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one
PubChem CID102405292
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(-c2ccccc2)c(=O)c1/C=C/c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C34H25N3O/c1-24-29(34(38)37(28-17-9-4-10-18-28)33(35-24)26-15-7-3-8-16-26)22-21-27-23-32(25-13-5-2-6-14-25)36-31-20-12-11-19-30(27)31/h2-23H,1H3/b22-21+
InChIKeyFPHTVRWNEUEGGK-QURGRASLSA-N
XLogP7.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one (CID 102405292) is 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one is Cc1nc(-c2ccccc2)n(-c2ccccc2)c(=O)c1/C=C/c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one?
The InChIKey is FPHTVRWNEUEGGK-QURGRASLSA-N. The full InChI is InChI=1S/C34H25N3O/c1-24-29(34(38)37(28-17-9-4-10-18-28)33(35-24)26-15-7-3-8-16-26)22-21-27-23-32(25-13-5-2-6-14-25)36-31-20-12-11-19-30(27)31/h2-23H,1H3/b22-21+.
What are the key properties of 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one?
6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one has a molecular weight of 491.59 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-diphenyl-5-[(E)-2-(2-phenylquinolin-4-yl)ethenyl]pyrimidin-4-one is sourced from PubChem (CID 102405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).