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

C18H18F3NO2 — CID 7413494

IUPAC(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)12(7-15(24)22-13)10-3-5-11(6-4-10)18(19,20)21/h3-6,12H,7-9H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyIUHBGWAPGURWNV-GFCCVEGCSA-N
MW337.34 g/mol
LogP3.95
Rot. Bonds1

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

(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 7413494) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID7413494
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)12(7-15(24)22-13)10-3-5-11(6-4-10)18(19,20)21/h3-6,12H,7-9H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyIUHBGWAPGURWNV-GFCCVEGCSA-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 (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

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
4-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 5295281
(4S)-7,7-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248804
(4S)-4-(4-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7248776
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 3162351
(4R)-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7075014
(4S)-4-[4-[(2S)-butan-2-yl]oxyphenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7414118
(4R)-4-(3,4-diethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413502
4-(4-chloro-3-nitrophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17312463
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7112284
(4S)-4-(2,3-difluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 40645405

Frequently Asked Questions

What is the IUPAC name of (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 7413494) is (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for (4R)-7,7-dimethyl-4-[4-(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]2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is IUHBGWAPGURWNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-17(2)8-13-16(14(23)9-17)12(7-15(24)22-13)10-3-5-11(6-4-10)18(19,20)21/h3-6,12H,7-9H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
(4R)-7,7-dimethyl-4-[4-(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 (4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 7413494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).