1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione

C22H17FN2O2 — CID 15989278

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione
SMILESCc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN2O2/c1-15-6-2-4-8-19(15)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3
InChIKeyAOZYCNNNULGROM-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.65
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione

1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione (PubChem CID 15989278) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione
PubChem CID15989278
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione
SMILESCc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN2O2/c1-15-6-2-4-8-19(15)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3
InChIKeyAOZYCNNNULGROM-UHFFFAOYSA-N
XLogP3.65
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione (CID 15989278) is 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione is Cc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione?
The InChIKey is AOZYCNNNULGROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-15-6-2-4-8-19(15)25-21(26)18-7-3-5-9-20(18)24(22(25)27)14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione?
1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione has a molecular weight of 360.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 15989278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).