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

C24H25NO6 — CID 3240626

IUPAC7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H25NO6/c1-29-15-5-7-21(30-2)16(11-15)14-8-18-24(20(27)9-14)17(12-23(28)25-18)13-4-6-19(26)22(10-13)31-3/h4-7,10-11,14,17,26H,8-9,12H2,1-3H3,(H,25,28)
InChIKeyZZIOCPYRDFGCSS-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.42
Rot. Bonds5

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

7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 3240626) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID3240626
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H25NO6/c1-29-15-5-7-21(30-2)16(11-15)14-8-18-24(20(27)9-14)17(12-23(28)25-18)13-4-6-19(26)22(10-13)31-3/h4-7,10-11,14,17,26H,8-9,12H2,1-3H3,(H,25,28)
InChIKeyZZIOCPYRDFGCSS-UHFFFAOYSA-N
XLogP3.42
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 3240626) is 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(O)c(OC)c2)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is ZZIOCPYRDFGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-29-15-5-7-21(30-2)16(11-15)14-8-18-24(20(27)9-14)17(12-23(28)25-18)13-4-6-19(26)22(10-13)31-3/h4-7,10-11,14,17,26H,8-9,12H2,1-3H3,(H,25,28).
What are the key properties of 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 423.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 3240626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).