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

C25H27NO6 — CID 6485642

IUPAC7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H27NO6/c1-29-16-6-8-21(30-2)17(12-16)15-9-19-25(20(27)10-15)18(13-24(28)26-19)14-5-7-22(31-3)23(11-14)32-4/h5-8,11-12,15,18H,9-10,13H2,1-4H3,(H,26,28)
InChIKeyUGPYHPJZXIOTCS-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.73
Rot. Bonds6

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

7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 6485642) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID6485642
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H27NO6/c1-29-16-6-8-21(30-2)17(12-16)15-9-19-25(20(27)10-15)18(13-24(28)26-19)14-5-7-22(31-3)23(11-14)32-4/h5-8,11-12,15,18H,9-10,13H2,1-4H3,(H,26,28)
InChIKeyUGPYHPJZXIOTCS-UHFFFAOYSA-N
XLogP3.73
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 6485642) is 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is UGPYHPJZXIOTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-29-16-6-8-21(30-2)17(12-16)15-9-19-25(20(27)10-15)18(13-24(28)26-19)14-5-7-22(31-3)23(11-14)32-4/h5-8,11-12,15,18H,9-10,13H2,1-4H3,(H,26,28).
What are the key properties of 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 437.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 6485642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).