3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione

C11H10F3N3O2 — CID 117263247

IUPAC3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
SMILESCn1c(=O)n(CN)c(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H10F3N3O2/c1-16-8-6(9(18)17(5-15)10(16)19)3-2-4-7(8)11(12,13)14/h2-4H,5,15H2,1H3
InChIKeyZEXBDSYUVXXVHK-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.64
Rot. Bonds1

About 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione

3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione (PubChem CID 117263247) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
PubChem CID117263247
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
SMILESCn1c(=O)n(CN)c(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C11H10F3N3O2/c1-16-8-6(9(18)17(5-15)10(16)19)3-2-4-7(8)11(12,13)14/h2-4H,5,15H2,1H3
InChIKeyZEXBDSYUVXXVHK-UHFFFAOYSA-N
XLogP0.64
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quinazolinedione
CID 64048
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
4(1H)-Quinazolinone, 2,3-dihydro-1,3-dimethyl-2-thioxo-
CID 63213
3-Methyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 747056
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione (CID 117263247) is 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione is Cn1c(=O)n(CN)c(=O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The InChIKey is ZEXBDSYUVXXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-16-8-6(9(18)17(5-15)10(16)19)3-2-4-7(8)11(12,13)14/h2-4H,5,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione has a molecular weight of 273.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117263247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).