2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one

C23H22N2O — CID 54778614

IUPAC2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCC1(c2ccccc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H22N2O/c1-23(19-12-6-3-7-13-19)24-21-15-9-8-14-20(21)22(26)25(23)17-16-18-10-4-2-5-11-18/h2-15,24H,16-17H2,1H3
InChIKeyQZFZTAXSUNSQKE-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.67
Rot. Bonds4

About 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one

2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one (PubChem CID 54778614) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
PubChem CID54778614
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCC1(c2ccccc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H22N2O/c1-23(19-12-6-3-7-13-19)24-21-15-9-8-14-20(21)22(26)25(23)17-16-18-10-4-2-5-11-18/h2-15,24H,16-17H2,1H3
InChIKeyQZFZTAXSUNSQKE-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one (CID 54778614) is 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one is CC1(c2ccccc2)Nc2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The InChIKey is QZFZTAXSUNSQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-23(19-12-6-3-7-13-19)24-21-15-9-8-14-20(21)22(26)25(23)17-16-18-10-4-2-5-11-18/h2-15,24H,16-17H2,1H3.
What are the key properties of 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).