3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione

C23H19FN2O2 — CID 15995240

IUPAC3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1
InChIInChI=1S/C23H19FN2O2/c1-15-11-16(2)13-18(12-15)26-22(27)19-8-4-6-10-21(19)25(23(26)28)14-17-7-3-5-9-20(17)24/h3-13H,14H2,1-2H3
InChIKeyXARICJNRHVCBIT-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.96
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione

3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 15995240) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione
PubChem CID15995240
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1
InChIInChI=1S/C23H19FN2O2/c1-15-11-16(2)13-18(12-15)26-22(27)19-8-4-6-10-21(19)25(23(26)28)14-17-7-3-5-9-20(17)24/h3-13H,14H2,1-2H3
InChIKeyXARICJNRHVCBIT-UHFFFAOYSA-N
XLogP3.96
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione (CID 15995240) is 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione is Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is XARICJNRHVCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15-11-16(2)13-18(12-15)26-22(27)19-8-4-6-10-21(19)25(23(26)28)14-17-7-3-5-9-20(17)24/h3-13H,14H2,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione?
3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 374.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 15995240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).