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

C24H22F3NO4 — CID 6496691

IUPAC4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC
InChIInChI=1S/C24H22F3NO4/c1-31-20-8-3-5-16(23(20)32-2)17-13-21(30)28(18-6-4-7-19(29)22(17)18)15-11-9-14(10-12-15)24(25,26)27/h3,5,8-12,17H,4,6-7,13H2,1-2H3
InChIKeyDNOKZYVOVQIVTJ-UHFFFAOYSA-N
MW445.44 g/mol
LogP5.25
Rot. Bonds4

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

4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 6496691) has the molecular formula C24H22F3NO4 and a molecular weight of 445.44 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID6496691
Molecular FormulaC24H22F3NO4
Molecular Weight445.44 g/mol
Exact Mass445.15
IUPAC Name4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC
InChIInChI=1S/C24H22F3NO4/c1-31-20-8-3-5-16(23(20)32-2)17-13-21(30)28(18-6-4-7-19(29)22(17)18)15-11-9-14(10-12-15)24(25,26)27/h3,5,8-12,17H,4,6-7,13H2,1-2H3
InChIKeyDNOKZYVOVQIVTJ-UHFFFAOYSA-N
XLogP5.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 6496691) is 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cccc(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is DNOKZYVOVQIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO4/c1-31-20-8-3-5-16(23(20)32-2)17-13-21(30)28(18-6-4-7-19(29)22(17)18)15-11-9-14(10-12-15)24(25,26)27/h3,5,8-12,17H,4,6-7,13H2,1-2H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 445.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 6496691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).