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

C26H29NO4 — CID 23773222

IUPAC1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)c1
InChIInChI=1S/C26H29NO4/c1-16-6-8-17(9-7-16)21-13-24(29)27(18-10-19(30-4)12-20(11-18)31-5)22-14-26(2,3)15-23(28)25(21)22/h6-12,21H,13-15H2,1-5H3
InChIKeySTJWFYNPFXBXOQ-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.18
Rot. Bonds4

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

1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23773222) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23773222
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)c1
InChIInChI=1S/C26H29NO4/c1-16-6-8-17(9-7-16)21-13-24(29)27(18-10-19(30-4)12-20(11-18)31-5)22-14-26(2,3)15-23(28)25(21)22/h6-12,21H,13-15H2,1-5H3
InChIKeySTJWFYNPFXBXOQ-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 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773223
3-[7,7-dimethyl-4-(4-methylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23999087
(4R)-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266716
4-[4-(diethylamino)phenyl]-1-(3,5-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23802345
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
(4S)-4-(4-methoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7039380
(4S)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 7426455
7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4540355
(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1267005
(4S)-4-(4-hydroxyphenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 26458714
7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773213
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496581

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23773222) is 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is COc1cc(OC)cc(N2C(=O)CC(c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is STJWFYNPFXBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16-6-8-17(9-7-16)21-13-24(29)27(18-10-19(30-4)12-20(11-18)31-5)22-14-26(2,3)15-23(28)25(21)22/h6-12,21H,13-15H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-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 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).