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

C28H33NO6 — CID 17062002

IUPAC4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCC(C)Oc1ccccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C28H33NO6/c1-6-16(2)35-23-10-8-7-9-19(23)20-15-26(31)29-21-11-17(12-22(30)27(20)21)18-13-24(32-3)28(34-5)25(14-18)33-4/h7-10,13-14,16-17,20H,6,11-12,15H2,1-5H3,(H,29,31)
InChIKeySSKPZIIFNJZYNM-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.89
Rot. Bonds8

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

4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17062002) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17062002
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Name4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCC(C)Oc1ccccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C28H33NO6/c1-6-16(2)35-23-10-8-7-9-19(23)20-15-26(31)29-21-11-17(12-22(30)27(20)21)18-13-24(32-3)28(34-5)25(14-18)33-4/h7-10,13-14,16-17,20H,6,11-12,15H2,1-5H3,(H,29,31)
InChIKeySSKPZIIFNJZYNM-UHFFFAOYSA-N
XLogP4.89
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-butan-2-yloxyphenyl)-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-(3-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061535
(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
(4R)-4-[2-[(2S)-butan-2-yl]oxyphenyl]-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7414113
4-(3-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062111
4-(4-bromophenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061680
(4S,7S)-7-(2-chlorophenyl)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645080
(4R,7S)-4-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645169
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
(4R,7R)-7-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645131

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17062002) is 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCC(C)Oc1ccccc1C1CC(=O)NC2=C1C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2.
What is the InChIKey of 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is SSKPZIIFNJZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO6/c1-6-16(2)35-23-10-8-7-9-19(23)20-15-26(31)29-21-11-17(12-22(30)27(20)21)18-13-24(32-3)28(34-5)25(14-18)33-4/h7-10,13-14,16-17,20H,6,11-12,15H2,1-5H3,(H,29,31).
What are the key properties of 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 479.57 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17062002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).