1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione

C11H10F3NO2 — CID 3647550

IUPAC1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(c(C(F)(F)F)cc1=O)C(=O)CCC2
InChIInChI=1S/C11H10F3NO2/c1-15-7-3-2-4-8(16)10(7)6(5-9(15)17)11(12,13)14/h5H,2-4H2,1H3
InChIKeyDTLAJINZLAGDAG-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.92
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 3647550) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID3647550
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(c(C(F)(F)F)cc1=O)C(=O)CCC2
InChIInChI=1S/C11H10F3NO2/c1-15-7-3-2-4-8(16)10(7)6(5-9(15)17)11(12,13)14/h5H,2-4H2,1H3
InChIKeyDTLAJINZLAGDAG-UHFFFAOYSA-N
XLogP1.92
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 3647550) is 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is Cn1c2c(c(C(F)(F)F)cc1=O)C(=O)CCC2.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is DTLAJINZLAGDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15-7-3-2-4-8(16)10(7)6(5-9(15)17)11(12,13)14/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 245.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 3647550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).