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

C27H22N2O — CID 58895109

IUPAC3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C27H22N2O/c30-27-24-13-7-8-14-25(24)28-26(29(27)19-20-9-3-1-4-10-20)23-17-15-22(16-18-23)21-11-5-2-6-12-21/h1-18,26,28H,19H2
InChIKeyKKOMONKBHLDURQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.12
Rot. Bonds4

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

3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 58895109) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID58895109
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C27H22N2O/c30-27-24-13-7-8-14-25(24)28-26(29(27)19-20-9-3-1-4-10-20)23-17-15-22(16-18-23)21-11-5-2-6-12-21/h1-18,26,28H,19H2
InChIKeyKKOMONKBHLDURQ-UHFFFAOYSA-N
XLogP6.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one (CID 58895109) is 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is KKOMONKBHLDURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c30-27-24-13-7-8-14-25(24)28-26(29(27)19-20-9-3-1-4-10-20)23-17-15-22(16-18-23)21-11-5-2-6-12-21/h1-18,26,28H,19H2.
What are the key properties of 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 390.49 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 58895109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).