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

C28H27NO5 — CID 17064826

IUPAC4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C28H27NO5/c1-32-24-13-18(14-25(33-2)28(24)34-3)17-11-22-27(23(30)12-17)21(15-26(31)29-22)20-10-6-8-16-7-4-5-9-19(16)20/h4-10,13-14,17,21H,11-12,15H2,1-3H3,(H,29,31)
InChIKeyILTJZFVUFZIFCU-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.87
Rot. Bonds5

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

4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17064826) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17064826
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C28H27NO5/c1-32-24-13-18(14-25(33-2)28(24)34-3)17-11-22-27(23(30)12-17)21(15-26(31)29-22)20-10-6-8-16-7-4-5-9-19(16)20/h4-10,13-14,17,21H,11-12,15H2,1-3H3,(H,29,31)
InChIKeyILTJZFVUFZIFCU-UHFFFAOYSA-N
XLogP4.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-naphthalen-1-yl-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-methoxy-2-propoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061535
4-(2-butan-2-yloxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062002
(4R,7R)-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444362
(4S,7R)-4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443651
(4R,7R)-7-phenyl-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444228
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
4-(2,3-dimethoxyphenyl)-7-(4-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061902
(4R,7R)-7-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645131
7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060644
7-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17064854
7-(4-tert-butylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6499297

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17064826) is 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1cc(C2CC(=O)C3=C(C2)NC(=O)CC3c2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is ILTJZFVUFZIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c1-32-24-13-18(14-25(33-2)28(24)34-3)17-11-22-27(23(30)12-17)21(15-26(31)29-22)20-10-6-8-16-7-4-5-9-19(16)20/h4-10,13-14,17,21H,11-12,15H2,1-3H3,(H,29,31).
What are the key properties of 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 457.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-7-(3,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17064826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).