2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

C23H21FN2O — CID 176687415

IUPAC2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)c1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-15(2)16-9-13-19(14-10-16)26-22(17-7-11-18(24)12-8-17)25-21-6-4-3-5-20(21)23(26)27/h3-15,22,25H,1-2H3
InChIKeyWRRFEWSFTWINCS-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.72
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687415) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687415
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)c1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O/c1-15(2)16-9-13-19(14-10-16)26-22(17-7-11-18(24)12-8-17)25-21-6-4-3-5-20(21)23(26)27/h3-15,22,25H,1-2H3
InChIKeyWRRFEWSFTWINCS-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 176687415) is 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is CC(C)c1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WRRFEWSFTWINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-15(2)16-9-13-19(14-10-16)26-22(17-7-11-18(24)12-8-17)25-21-6-4-3-5-20(21)23(26)27/h3-15,22,25H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 360.43 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).