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

C23H22N2O — CID 176687508

IUPAC2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-2-8-17-13-15-19(16-14-17)25-22(18-9-4-3-5-10-18)24-21-12-7-6-11-20(21)23(25)26/h3-7,9-16,22,24H,2,8H2,1H3
InChIKeyNMQYBPWUJZGREN-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.41
Rot. Bonds4

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

2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687508) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687508
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-2-8-17-13-15-19(16-14-17)25-22(18-9-4-3-5-10-18)24-21-12-7-6-11-20(21)23(25)26/h3-7,9-16,22,24H,2,8H2,1H3
InChIKeyNMQYBPWUJZGREN-UHFFFAOYSA-N
XLogP5.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (CID 176687508) is 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is CCCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NMQYBPWUJZGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-8-17-13-15-19(16-14-17)25-22(18-9-4-3-5-10-18)24-21-12-7-6-11-20(21)23(25)26/h3-7,9-16,22,24H,2,8H2,1H3.
What are the key properties of 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).