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

C11H10F3NO2 — CID 97036575

IUPAC(7R)-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-/m1/s1
InChIKeyOZFKTFAFRBTOJT-ZCFIWIBFSA-N
MW245.20 g/mol
LogP1.69
Rot. Bonds

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

(7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 97036575) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name(7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID97036575
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(7R)-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-/m1/s1
InChIKeyOZFKTFAFRBTOJT-ZCFIWIBFSA-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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Related Compounds

N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 3647550
7-(Difluoromethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 149823114
1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 156504687
1-Isopropyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10104400
1-(2,2-difluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104270
1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104411
1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104970
(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)methyl-trifluoroboranuide
CID 81105122
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81106487
1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108923
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109165

Frequently Asked Questions

What is the IUPAC name of (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 97036575) is (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for (7R)-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 (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is OZFKTFAFRBTOJT-ZCFIWIBFSA-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-/m1/s1.
What are the key properties of (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
(7R)-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 (7R)-1-methyl-7-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 97036575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).