2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

C21H17FN2O — CID 2887694

IUPAC2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2cccc(F)c2)cc1
InChIInChI=1S/C21H17FN2O/c1-14-9-11-17(12-10-14)24-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3
InChIKeyAXRCKONAGUYKOX-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.91
Rot. Bonds2

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

2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2887694) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2887694
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2cccc(F)c2)cc1
InChIInChI=1S/C21H17FN2O/c1-14-9-11-17(12-10-14)24-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3
InChIKeyAXRCKONAGUYKOX-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 2887694) is 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3NC2c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AXRCKONAGUYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-14-9-11-17(12-10-14)24-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-18(19)21(24)25/h2-13,20,23H,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 332.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2887694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).