4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C23H23NO4 — CID 6499218

IUPAC4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(C)cc2)C3)ccc1O
InChIInChI=1S/C23H23NO4/c1-13-3-5-14(6-4-13)16-9-18-23(20(26)10-16)17(12-22(27)24-18)15-7-8-19(25)21(11-15)28-2/h3-8,11,16-17,25H,9-10,12H2,1-2H3,(H,24,27)
InChIKeyFVEDVONQRVSCPX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 6499218) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID6499218
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(C)cc2)C3)ccc1O
InChIInChI=1S/C23H23NO4/c1-13-3-5-14(6-4-13)16-9-18-23(20(26)10-16)17(12-22(27)24-18)15-7-8-19(25)21(11-15)28-2/h3-8,11,16-17,25H,9-10,12H2,1-2H3,(H,24,27)
InChIKeyFVEDVONQRVSCPX-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-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

4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060687
(4S,7S)-4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645189
(4R,7S)-4-(4-hydroxy-3-methoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444283
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413646
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444195
4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6485671
7-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061756
4-(2,4-dimethoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063265
4-(3,4-dimethoxyphenyl)-7-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062787
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7112284
7-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064854
(4S,7R)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645201

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 6499218) is 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(C)cc2)C3)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is FVEDVONQRVSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-13-3-5-14(6-4-13)16-9-18-23(20(26)10-16)17(12-22(27)24-18)15-7-8-19(25)21(11-15)28-2/h3-8,11,16-17,25H,9-10,12H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 377.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 6499218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).