2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one

C26H19N3O — CID 17020121

IUPAC2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1cccnc1
InChIInChI=1S/C26H19N3O/c30-26-23-10-4-5-11-24(23)28-25(29(26)18-19-7-6-16-27-17-19)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-17H,18H2
InChIKeyNVHVFITXPIZHCV-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one

2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one (PubChem CID 17020121) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
PubChem CID17020121
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1cccnc1
InChIInChI=1S/C26H19N3O/c30-26-23-10-4-5-11-24(23)28-25(29(26)18-19-7-6-16-27-17-19)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-17H,18H2
InChIKeyNVHVFITXPIZHCV-UHFFFAOYSA-N
XLogP5.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one (CID 17020121) is 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1cccnc1.
What is the InChIKey of 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The InChIKey is NVHVFITXPIZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c30-26-23-10-4-5-11-24(23)28-25(29(26)18-19-7-6-16-27-17-19)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-17H,18H2.
What are the key properties of 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 17020121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).