4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

C28H33NO4 — CID 23831120

IUPAC4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccc(C(C)C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C28H33NO4/c1-17(2)18-10-12-19(13-11-18)29-22-15-28(3,4)16-23(30)26(22)21(14-25(29)31)20-8-7-9-24(32-5)27(20)33-6/h7-13,17,21H,14-16H2,1-6H3
InChIKeyAMCGIURJJPGGCW-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.99
Rot. Bonds5

About 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23831120) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23831120
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC Name4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cccc(C2CC(=O)N(c3ccc(C(C)C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC
InChIInChI=1S/C28H33NO4/c1-17(2)18-10-12-19(13-11-18)29-22-15-28(3,4)16-23(30)26(22)21(14-25(29)31)20-8-7-9-24(32-5)27(20)33-6/h7-13,17,21H,14-16H2,1-6H3
InChIKeyAMCGIURJJPGGCW-UHFFFAOYSA-N
XLogP5.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-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

Related Compounds

(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426478
4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496604
(4R)-4-(2,3-dimethoxyphenyl)-1-(2-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426472
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773213
(4R)-1-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7268743
4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496622
(4S)-4-(2,5-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426481
4-(2,3-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496691
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23831120) is 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1cccc(C2CC(=O)N(c3ccc(C(C)C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is AMCGIURJJPGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-17(2)18-10-12-19(13-11-18)29-22-15-28(3,4)16-23(30)26(22)21(14-25(29)31)20-8-7-9-24(32-5)27(20)33-6/h7-13,17,21H,14-16H2,1-6H3.
What are the key properties of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 447.58 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23831120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).