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

C13H14F3N3O2 — CID 117263305

IUPAC3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(N)Cn1c(=O)c2cccc(C(F)(F)F)c2n(C)c1=O
InChIInChI=1S/C13H14F3N3O2/c1-7(17)6-19-11(20)8-4-3-5-9(13(14,15)16)10(8)18(2)12(19)21/h3-5,7H,6,17H2,1-2H3
InChIKeySMVGMZGFBSPGKH-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.07
Rot. Bonds2

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

3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione (PubChem CID 117263305) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
PubChem CID117263305
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(N)Cn1c(=O)c2cccc(C(F)(F)F)c2n(C)c1=O
InChIInChI=1S/C13H14F3N3O2/c1-7(17)6-19-11(20)8-4-3-5-9(13(14,15)16)10(8)18(2)12(19)21/h3-5,7H,6,17H2,1-2H3
InChIKeySMVGMZGFBSPGKH-UHFFFAOYSA-N
XLogP1.07
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263247
1-methyl-2,4-dioxo-8-(trifluoromethyl)quinazoline-3-carboxylic acid
CID 117263380
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
CID 117262041
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
2-amino-2-[1,2-dimethyl-7-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073090
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
1-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanone
CID 83919945
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
1-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
CID 97009751
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione (CID 117263305) is 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione is CC(N)Cn1c(=O)c2cccc(C(F)(F)F)c2n(C)c1=O.
What is the InChIKey of 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
The InChIKey is SMVGMZGFBSPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-7(17)6-19-11(20)8-4-3-5-9(13(14,15)16)10(8)18(2)12(19)21/h3-5,7H,6,17H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione?
3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione has a molecular weight of 301.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).