3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione

C11H10F3N3O2 — CID 117263244

IUPAC3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCNCn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H10F3N3O2/c1-15-5-17-9(18)6-3-2-4-7(11(12,13)14)8(6)16-10(17)19/h2-4,15H,5H2,1H3,(H,16,19)
InChIKeyYKJZQQRBWSOLMY-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.89
Rot. Bonds2

About 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117263244) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117263244
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCNCn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H10F3N3O2/c1-15-5-17-9(18)6-3-2-4-7(11(12,13)14)8(6)16-10(17)19/h2-4,15H,5H2,1H3,(H,16,19)
InChIKeyYKJZQQRBWSOLMY-UHFFFAOYSA-N
XLogP0.89
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-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

Related Compounds

2,4-dioxo-8-(trifluoromethyl)-1H-quinazoline-3-carboxylic acid
CID 117263379
3-propyl-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206752
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016
3-(3-hydroxypropyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206090
3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206950
8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 12592798
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
3-(thiolan-2-ylmethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206434
3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263247

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117263244) is 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione is CNCn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is YKJZQQRBWSOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-15-5-17-9(18)6-3-2-4-7(11(12,13)14)8(6)16-10(17)19/h2-4,15H,5H2,1H3,(H,16,19).
What are the key properties of 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 273.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117263244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).