3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione

C10H7F3N2O2 — CID 21287686

IUPAC3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cccc(C(F)(F)F)c2c1=O
InChIInChI=1S/C10H7F3N2O2/c1-15-8(16)7-5(10(11,12)13)3-2-4-6(7)14-9(15)17/h2-4H,1H3,(H,14,17)
InChIKeyVVMANYNZOWSMDT-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.25
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 21287686) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID21287686
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cccc(C(F)(F)F)c2c1=O
InChIInChI=1S/C10H7F3N2O2/c1-15-8(16)7-5(10(11,12)13)3-2-4-6(7)14-9(15)17/h2-4H,1H3,(H,14,17)
InChIKeyVVMANYNZOWSMDT-UHFFFAOYSA-N
XLogP1.25
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 21287686) is 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2cccc(C(F)(F)F)c2c1=O.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is VVMANYNZOWSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-15-8(16)7-5(10(11,12)13)3-2-4-6(7)14-9(15)17/h2-4H,1H3,(H,14,17).
What are the key properties of 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 244.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 21287686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).