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

C21H17FN2O — CID 3817031

IUPAC3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C21H17FN2O/c22-17-12-10-16(11-13-17)20-23-19-9-5-4-8-18(19)21(25)24(20)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2
InChIKeyAIPXTGKIFBDKBO-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.59
Rot. Bonds3

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

3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3817031) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3817031
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccccc1
InChIInChI=1S/C21H17FN2O/c22-17-12-10-16(11-13-17)20-23-19-9-5-4-8-18(19)21(25)24(20)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2
InChIKeyAIPXTGKIFBDKBO-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 3817031) is 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is AIPXTGKIFBDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-12-10-16(11-13-17)20-23-19-9-5-4-8-18(19)21(25)24(20)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2.
What are the key properties of 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 332.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3817031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).