6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

C13H11F3N2O3 — CID 141153042

IUPAC6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(=O)c1cc2c(=O)[nH]c(=O)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-5(2)10(19)6-3-7-9(4-8(6)13(14,15)16)17-12(21)18-11(7)20/h3-5H,1-2H3,(H2,17,18,20,21)
InChIKeyMMEFYYQESQWQNU-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.07
Rot. Bonds2

About 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 141153042) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID141153042
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(=O)c1cc2c(=O)[nH]c(=O)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c1-5(2)10(19)6-3-7-9(4-8(6)13(14,15)16)17-12(21)18-11(7)20/h3-5H,1-2H3,(H2,17,18,20,21)
InChIKeyMMEFYYQESQWQNU-UHFFFAOYSA-N
XLogP2.07
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylquinazoline-2,4(1H,3H)-dione
CID 14087862
7-Methyl-2,2-bis(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 3389424
6-Amino-7-trifluoromethyl-1h-quinazoline-2,4-dione
CID 18925797
6-(Trifluoromethyl)quinazoline-2,4(1H,3H)-dione
CID 34176116
6-methylquinazoline-2,4(1H,3H)-dione
CID 334024
6-Benzoylquinazoline-2,4-dione
CID 19816015
2,3-Dimethyl-9-oxo-9,10-dihydroacridine-4-carboxamide
CID 362317
N-(6-acetyl-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide
CID 11965693
3-[2,4-dimethyl-5-(2-methyl-3-oxobutyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20719080
3-(5-acetyl-2,4-dimethylphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 20719083
3-methyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 20800043
3-Methyl-5-trifluoromethyl 1,2,3,4-tetrahydro-2,4-dioxo-quinazoline
CID 21287686

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 141153042) is 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is CC(C)C(=O)c1cc2c(=O)[nH]c(=O)[nH]c2cc1C(F)(F)F.
What is the InChIKey of 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is MMEFYYQESQWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-5(2)10(19)6-3-7-9(4-8(6)13(14,15)16)17-12(21)18-11(7)20/h3-5H,1-2H3,(H2,17,18,20,21).
What are the key properties of 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 300.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 141153042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).