1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one

C26H20N2O — CID 11538084

IUPAC1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
SMILESO=C1NC(c2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H20N2O/c29-26-23-13-7-8-14-24(23)28(22-11-5-2-6-12-22)25(27-26)21-17-15-20(16-18-21)19-9-3-1-4-10-19/h1-18,25H,(H,27,29)
InChIKeyFJFAXRQETVSFKC-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.93
Rot. Bonds3

About 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one

1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one (PubChem CID 11538084) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
PubChem CID11538084
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
SMILESO=C1NC(c2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H20N2O/c29-26-23-13-7-8-14-24(23)28(22-11-5-2-6-12-22)25(27-26)21-17-15-20(16-18-21)19-9-3-1-4-10-19/h1-18,25H,(H,27,29)
InChIKeyFJFAXRQETVSFKC-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one (CID 11538084) is 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one is O=C1NC(c2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one?
The InChIKey is FJFAXRQETVSFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-26-23-13-7-8-14-24(23)28(22-11-5-2-6-12-22)25(27-26)21-17-15-20(16-18-21)19-9-3-1-4-10-19/h1-18,25H,(H,27,29).
What are the key properties of 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one?
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 11538084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).