4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione

C26H26F3NO4 — CID 6496619

IUPAC4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C26H26F3NO4/c1-25(2)13-20-24(21(31)14-25)19(18-11-17(33-3)8-9-22(18)34-4)12-23(32)30(20)16-7-5-6-15(10-16)26(27,28)29/h5-11,19H,12-14H2,1-4H3
InChIKeyRCTQADJSXQOSHD-UHFFFAOYSA-N
MW473.49 g/mol
LogP5.89
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione

4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 6496619) has the molecular formula C26H26F3NO4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID6496619
Molecular FormulaC26H26F3NO4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Name4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C26H26F3NO4/c1-25(2)13-20-24(21(31)14-25)19(18-11-17(33-3)8-9-22(18)34-4)12-23(32)30(20)16-7-5-6-15(10-16)26(27,28)29/h5-11,19H,12-14H2,1-4H3
InChIKeyRCTQADJSXQOSHD-UHFFFAOYSA-N
XLogP5.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426481
4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496622
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426478
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
1-(2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23744036
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
4-(2,3-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294826
4-(3,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496396
1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23887321
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23831120
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 6496619) is 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1ccc(OC)c(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is RCTQADJSXQOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO4/c1-25(2)13-20-24(21(31)14-25)19(18-11-17(33-3)8-9-22(18)34-4)12-23(32)30(20)16-7-5-6-15(10-16)26(27,28)29/h5-11,19H,12-14H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 473.49 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 6496619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).