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

C26H29NO4 — CID 6496581

IUPAC4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H29NO4/c1-16-8-6-7-9-19(16)27-20-14-26(2,3)15-21(28)25(20)18(13-24(27)29)17-10-11-22(30-4)23(12-17)31-5/h6-12,18H,13-15H2,1-5H3
InChIKeyWKYNKYCDGYCPMA-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.18
Rot. Bonds4

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

4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 6496581) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID6496581
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C26H29NO4/c1-16-8-6-7-9-19(16)27-20-14-26(2,3)15-21(28)25(20)18(13-24(27)29)17-10-11-22(30-4)23(12-17)31-5/h6-12,18H,13-15H2,1-5H3
InChIKeyWKYNKYCDGYCPMA-UHFFFAOYSA-N
XLogP5.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(3-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23999086
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
1-(2,5-dimethylphenyl)-7,7-dimethyl-4-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802385
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773222
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
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23915330
10-(2-methoxyphenyl)-9-[4-[10-(2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 53232693
1-(2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23744036
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266716

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 6496581) is 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1ccc(C2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is WKYNKYCDGYCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16-8-6-7-9-19(16)27-20-14-26(2,3)15-21(28)25(20)18(13-24(27)29)17-10-11-22(30-4)23(12-17)31-5/h6-12,18H,13-15H2,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 419.52 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 6496581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).