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

C27H31NO4 — CID 6496622

IUPAC4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C27H31NO4/c1-6-17-7-9-18(10-8-17)28-22-15-27(2,3)16-23(29)26(22)21(14-25(28)30)20-13-19(31-4)11-12-24(20)32-5/h7-13,21H,6,14-16H2,1-5H3
InChIKeyUCXAJPIJWBABGE-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.43
Rot. Bonds5

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

4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 6496622) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID6496622
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C27H31NO4/c1-6-17-7-9-18(10-8-17)28-22-15-27(2,3)16-23(29)26(22)21(14-25(28)30)20-13-19(31-4)11-12-24(20)32-5/h7-13,21H,6,14-16H2,1-5H3
InChIKeyUCXAJPIJWBABGE-UHFFFAOYSA-N
XLogP5.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-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)-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496619
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
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
(4S)-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426453
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773223
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
(4R)-4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426478
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1362259

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 6496622) is 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is CCc1ccc(N2C(=O)CC(c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is UCXAJPIJWBABGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-6-17-7-9-18(10-8-17)28-22-15-27(2,3)16-23(29)26(22)21(14-25(28)30)20-13-19(31-4)11-12-24(20)32-5/h7-13,21H,6,14-16H2,1-5H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
4-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 433.55 g/mol, XLogP of 5.43, 5 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-(4-ethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 6496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).