3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione

C12H12F3N3O2 — CID 117262584

IUPAC3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(N)n1c(=O)c2cc(C(F)(F)F)ccc2n(C)c1=O
InChIInChI=1S/C12H12F3N3O2/c1-6(16)18-10(19)8-5-7(12(13,14)15)3-4-9(8)17(2)11(18)20/h3-6H,16H2,1-2H3
InChIKeyHJZLXNBQXGLFQR-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.20
Rot. Bonds1

About 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione

3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione (PubChem CID 117262584) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
PubChem CID117262584
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(N)n1c(=O)c2cc(C(F)(F)F)ccc2n(C)c1=O
InChIInChI=1S/C12H12F3N3O2/c1-6(16)18-10(19)8-5-7(12(13,14)15)3-4-9(8)17(2)11(18)20/h3-6H,16H2,1-2H3
InChIKeyHJZLXNBQXGLFQR-UHFFFAOYSA-N
XLogP1.20
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-(methylamino)ethyl]-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262585
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120939
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
1-bromo-5-methyl-7-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
CID 154477014
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione (CID 117262584) is 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione is CC(N)n1c(=O)c2cc(C(F)(F)F)ccc2n(C)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione?
The InChIKey is HJZLXNBQXGLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-6(16)18-10(19)8-5-7(12(13,14)15)3-4-9(8)17(2)11(18)20/h3-6H,16H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione?
3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione has a molecular weight of 287.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-methyl-6-(trifluoromethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).