4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C28H33NO7 — CID 17061535

IUPAC4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCCOc1c(OC)cccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C28H33NO7/c1-6-10-36-27-18(8-7-9-22(27)32-2)19-15-25(31)29-20-11-16(12-21(30)26(19)20)17-13-23(33-3)28(35-5)24(14-17)34-4/h7-9,13-14,16,19H,6,10-12,15H2,1-5H3,(H,29,31)
InChIKeyLHQAMWOFHDBGBI-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.51
Rot. Bonds9

About 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17061535) has the molecular formula C28H33NO7 and a molecular weight of 495.57 g/mol. Its IUPAC name is 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17061535
Molecular FormulaC28H33NO7
Molecular Weight495.57 g/mol
Exact Mass495.23
IUPAC Name4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCCOc1c(OC)cccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C28H33NO7/c1-6-10-36-27-18(8-7-9-22(27)32-2)19-15-25(31)29-20-11-16(12-21(30)26(19)20)17-13-23(33-3)28(35-5)24(14-17)34-4/h7-9,13-14,16,19H,6,10-12,15H2,1-5H3,(H,29,31)
InChIKeyLHQAMWOFHDBGBI-UHFFFAOYSA-N
XLogP4.51
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064826
4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062002
4-(2,3-dimethoxyphenyl)-7-(4-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061902
(4S,7R)-4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443651
4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062111
(4R,7R)-7-phenyl-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444228
(4R,7R)-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444362
7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060644
(4S,7S)-4-(2,3-dimethoxyphenyl)-7-(2,5-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123536
(4R,7R)-7-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645131
4-(4-bromophenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061680
7-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064854

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17061535) is 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCCOc1c(OC)cccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2.
What is the InChIKey of 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is LHQAMWOFHDBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO7/c1-6-10-36-27-18(8-7-9-22(27)32-2)19-15-25(31)29-20-11-16(12-21(30)26(19)20)17-13-23(33-3)28(35-5)24(14-17)34-4/h7-9,13-14,16,19H,6,10-12,15H2,1-5H3,(H,29,31).
What are the key properties of 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 495.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17061535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).