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

C11H11F2NO2 — CID 99986301

IUPAC(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(ccc1=O)C(=O)C[C@@H](C(F)F)C2
InChIInChI=1S/C11H11F2NO2/c1-14-8-4-6(11(12)13)5-9(15)7(8)2-3-10(14)16/h2-3,6,11H,4-5H2,1H3/t6-/m0/s1
InChIKeyFPVXRUNWDNKXOL-LURJTMIESA-N
MW227.21 g/mol
LogP1.40
Rot. Bonds1

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

(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 99986301) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID99986301
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCn1c2c(ccc1=O)C(=O)C[C@@H](C(F)F)C2
InChIInChI=1S/C11H11F2NO2/c1-14-8-4-6(11(12)13)5-9(15)7(8)2-3-10(14)16/h2-3,6,11H,4-5H2,1H3/t6-/m0/s1
InChIKeyFPVXRUNWDNKXOL-LURJTMIESA-N
XLogP1.40
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione with MolForge

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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 (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 99986301) is (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione is Cn1c2c(ccc1=O)C(=O)C[C@@H](C(F)F)C2.
What is the InChIKey of (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is FPVXRUNWDNKXOL-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-8-4-6(11(12)13)5-9(15)7(8)2-3-10(14)16/h2-3,6,11H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
(7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 227.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(difluoromethyl)-1-methyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 99986301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).