diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

C32H37NO9 — CID 6615734

IUPACdiethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3cccc(OC)c3)C2)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C32H37NO9/c1-8-41-31(35)25-17(3)33-22-16-21(18-11-10-12-20(13-18)37-4)27(32(36)42-9-2)29(34)28(22)26(25)19-14-23(38-5)30(40-7)24(15-19)39-6/h10-15,21,26-27,33H,8-9,16H2,1-7H3
InChIKeySQLJEJPTWFIORJ-UHFFFAOYSA-N
MW579.65 g/mol
LogP4.43
Rot. Bonds10

About diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate (PubChem CID 6615734) has the molecular formula C32H37NO9 and a molecular weight of 579.65 g/mol. Its IUPAC name is diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
PubChem CID6615734
Molecular FormulaC32H37NO9
Molecular Weight579.65 g/mol
Exact Mass579.25
IUPAC Namediethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3cccc(OC)c3)C2)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C32H37NO9/c1-8-41-31(35)25-17(3)33-22-16-21(18-11-10-12-20(13-18)37-4)27(32(36)42-9-2)29(34)28(22)26(25)19-14-23(38-5)30(40-7)24(15-19)39-6/h10-15,21,26-27,33H,8-9,16H2,1-7H3
InChIKeySQLJEJPTWFIORJ-UHFFFAOYSA-N
XLogP4.43
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The IUPAC name of diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate (CID 6615734) is diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
What is the SMILES notation for diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The canonical SMILES for diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3cccc(OC)c3)C2)C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate?
The InChIKey is SQLJEJPTWFIORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO9/c1-8-41-31(35)25-17(3)33-22-16-21(18-11-10-12-20(13-18)37-4)27(32(36)42-9-2)29(34)28(22)26(25)19-14-23(38-5)30(40-7)24(15-19)39-6/h10-15,21,26-27,33H,8-9,16H2,1-7H3.
What are the key properties of diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate?
diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate has a molecular weight of 579.65 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate is sourced from PubChem (CID 6615734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).