2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one

C33H24N2O — CID 156568699

IUPAC2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
SMILESC=C1N(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24N2O/c1-24-34(29-20-16-27(17-21-29)25-10-4-2-5-11-25)32-15-9-8-14-31(32)33(36)35(24)30-22-18-28(19-23-30)26-12-6-3-7-13-26/h2-23H,1H2
InChIKeyZXCNEIPCULMLCE-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.29
Rot. Bonds4

About 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one

2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one (PubChem CID 156568699) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
PubChem CID156568699
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
SMILESC=C1N(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24N2O/c1-24-34(29-20-16-27(17-21-29)25-10-4-2-5-11-25)32-15-9-8-14-31(32)33(36)35(24)30-22-18-28(19-23-30)26-12-6-3-7-13-26/h2-23H,1H2
InChIKeyZXCNEIPCULMLCE-UHFFFAOYSA-N
XLogP8.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one?
The IUPAC name of 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one (CID 156568699) is 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one?
The canonical SMILES for 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one is C=C1N(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one?
The InChIKey is ZXCNEIPCULMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c1-24-34(29-20-16-27(17-21-29)25-10-4-2-5-11-25)32-15-9-8-14-31(32)33(36)35(24)30-22-18-28(19-23-30)26-12-6-3-7-13-26/h2-23H,1H2.
What are the key properties of 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one?
2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one has a molecular weight of 464.57 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one is sourced from PubChem (CID 156568699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).