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

C13H13F3N2O3 — CID 117262041

IUPAC3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2c(C(F)(F)F)cccc2n(C)c1=O
InChIInChI=1S/C13H13F3N2O3/c1-7(19)6-18-11(20)10-8(13(14,15)16)4-3-5-9(10)17(2)12(18)21/h3-5,7,19H,6H2,1-2H3
InChIKeyQAAPALRRCHSOQR-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.10
Rot. Bonds2

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

3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione (PubChem CID 117262041) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
PubChem CID117262041
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione
SMILESCC(O)Cn1c(=O)c2c(C(F)(F)F)cccc2n(C)c1=O
InChIInChI=1S/C13H13F3N2O3/c1-7(19)6-18-11(20)10-8(13(14,15)16)4-3-5-9(10)17(2)12(18)21/h3-5,7,19H,6H2,1-2H3
InChIKeyQAAPALRRCHSOQR-UHFFFAOYSA-N
XLogP1.10
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
CID 97009751
3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263305
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117119526
6-chloro-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262430
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049
3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263247
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
CID 54688293
3-(1-hydroxyethyl)-5-(trifluoromethyl)-1H-quinolin-4-one
CID 90869470

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione (CID 117262041) is 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione is CC(O)Cn1c(=O)c2c(C(F)(F)F)cccc2n(C)c1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione?
The InChIKey is QAAPALRRCHSOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-7(19)6-18-11(20)10-8(13(14,15)16)4-3-5-9(10)17(2)12(18)21/h3-5,7,19H,6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione?
3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione has a molecular weight of 302.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1-methyl-5-(trifluoromethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).