4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C25H27NO4 — CID 23887260

IUPAC4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)N(c3cccc(C)c3C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C25H27NO4/c1-15-7-5-8-20(16(15)2)26-21-9-6-10-22(27)25(21)19(14-24(26)28)18-13-17(29-3)11-12-23(18)30-4/h5,7-8,11-13,19H,6,9-10,14H2,1-4H3
InChIKeyDOPXPQPDZBTBGV-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.85
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23887260) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23887260
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)N(c3cccc(C)c3C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C25H27NO4/c1-15-7-5-8-20(16(15)2)26-21-9-6-10-22(27)25(21)19(14-24(26)28)18-13-17(29-3)11-12-23(18)30-4/h5,7-8,11-13,19H,6,9-10,14H2,1-4H3
InChIKeyDOPXPQPDZBTBGV-UHFFFAOYSA-N
XLogP4.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859463
(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496703
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887269
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496698
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999014
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5295290
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23887260) is 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1ccc(OC)c(C2CC(=O)N(c3cccc(C)c3C)C3=C2C(=O)CCC3)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is DOPXPQPDZBTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-15-7-5-8-20(16(15)2)26-21-9-6-10-22(27)25(21)19(14-24(26)28)18-13-17(29-3)11-12-23(18)30-4/h5,7-8,11-13,19H,6,9-10,14H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 405.49 g/mol, XLogP of 4.85, 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)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).