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

C11H10F3NO2 — CID 97036574

IUPAC(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(ccc1=O)C(=O)C[C@@H](C(F)(F)F)C2
InChIInChI=1S/C11H10F3NO2/c1-15-8-4-6(11(12,13)14)5-9(16)7(8)2-3-10(15)17/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyOZFKTFAFRBTOJT-LURJTMIESA-N
MW245.20 g/mol
LogP1.69
Rot. Bonds

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

(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 97036574) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID97036574
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(ccc1=O)C(=O)C[C@@H](C(F)(F)F)C2
InChIInChI=1S/C11H10F3NO2/c1-15-8-4-6(11(12,13)14)5-9(16)7(8)2-3-10(15)17/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyOZFKTFAFRBTOJT-LURJTMIESA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 97036574) is (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is Cn1c2c(ccc1=O)C(=O)C[C@@H](C(F)(F)F)C2.
What is the InChIKey of (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is OZFKTFAFRBTOJT-LURJTMIESA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15-8-4-6(11(12,13)14)5-9(16)7(8)2-3-10(15)17/h2-3,6H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
(7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 245.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 97036574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).