(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C18H18F3NO2 — CID 7248804

IUPAC(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)11(7-15(24)22-13)10-5-3-4-6-12(10)18(19,20)21/h3-6,11H,7-9H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyFDWDZLGONXCNRC-NSHDSACASA-N
MW337.34 g/mol
LogP3.95
Rot. Bonds1

About (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 7248804) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID7248804
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)11(7-15(24)22-13)10-5-3-4-6-12(10)18(19,20)21/h3-6,11H,7-9H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyFDWDZLGONXCNRC-NSHDSACASA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(2,3-difluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 40645405
(4R)-7,7-dimethyl-4-naphthalen-1-yl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413488
(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413494
7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060583
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997035
(6S)-2,3,9,9-tetramethyl-6-[2-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 7084279
(4R)-4-[2-[(2S)-butan-2-yl]oxyphenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7414113
(4S)-3,7,7-trimethyl-4-[2-(trifluoromethyl)phenyl]-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135984463
7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17285700
(4S)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248810
propyl (4R)-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 38989534
(4R)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1340169

Frequently Asked Questions

What is the IUPAC name of (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 7248804) is (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1C(F)(F)F.
What is the InChIKey of (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is FDWDZLGONXCNRC-NSHDSACASA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)11(7-15(24)22-13)10-5-3-4-6-12(10)18(19,20)21/h3-6,11H,7-9H2,1-2H3,(H,22,24)/t11-/m0/s1.
What are the key properties of (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 337.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 7248804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).