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

C26H29NO6 — CID 17062111

IUPAC4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2cc(OC)c(OC)c(OC)c2)C3)c1
InChIInChI=1S/C26H29NO6/c1-5-33-18-8-6-7-15(9-18)19-14-24(29)27-20-10-16(11-21(28)25(19)20)17-12-22(30-2)26(32-4)23(13-17)31-3/h6-9,12-13,16,19H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyDSBLFPLYGVPROU-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.12
Rot. Bonds7

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

4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17062111) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17062111
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Name4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2cc(OC)c(OC)c(OC)c2)C3)c1
InChIInChI=1S/C26H29NO6/c1-5-33-18-8-6-7-15(9-18)19-14-24(29)27-20-10-16(11-21(28)25(19)20)17-12-22(30-2)26(32-4)23(13-17)31-3/h6-9,12-13,16,19H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyDSBLFPLYGVPROU-UHFFFAOYSA-N
XLogP4.12
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(3-ethoxyphenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064459
(4R,7R)-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444362
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413591
4-(3-bromo-4,5-diethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062821
(4R,7R)-4-(3-ethoxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413955
4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064826
4-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061535
7-(4-ethoxy-3-methoxyphenyl)-4-(3-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061170
4-(2,3-dimethoxyphenyl)-7-(4-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061902
4-(4-bromophenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061680
7-(3-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062698
(4S,7R)-7-(2,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413074

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17062111) is 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCOc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2cc(OC)c(OC)c(OC)c2)C3)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is DSBLFPLYGVPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-5-33-18-8-6-7-15(9-18)19-14-24(29)27-20-10-16(11-21(28)25(19)20)17-12-22(30-2)26(32-4)23(13-17)31-3/h6-9,12-13,16,19H,5,10-11,14H2,1-4H3,(H,27,29).
What are the key properties of 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 451.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17062111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).