ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate

C28H29NO5 — CID 122181893

IUPACethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H29NO5/c1-5-34-28(30)23-18-29(17-19-10-13-21(31-2)14-11-19)24-9-7-6-8-22(24)27(23)20-12-15-25(32-3)26(16-20)33-4/h6-16,18,27H,5,17H2,1-4H3
InChIKeyASFJYRUFJMGSDL-UHFFFAOYSA-N
MW459.54 g/mol
LogP5.31
Rot. Bonds8

About ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate

ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate (PubChem CID 122181893) has the molecular formula C28H29NO5 and a molecular weight of 459.54 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
PubChem CID122181893
Molecular FormulaC28H29NO5
Molecular Weight459.54 g/mol
Exact Mass459.20
IUPAC Nameethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C28H29NO5/c1-5-34-28(30)23-18-29(17-19-10-13-21(31-2)14-11-19)24-9-7-6-8-22(24)27(23)20-12-15-25(32-3)26(16-20)33-4/h6-16,18,27H,5,17H2,1-4H3
InChIKeyASFJYRUFJMGSDL-UHFFFAOYSA-N
XLogP5.31
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181888
dimethyl 1-[(4-methoxyphenyl)methyl]-4-(3-methoxy-4-propoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171962
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
ethyl (4R)-1-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-phenyl-4H-quinoline-3-carboxylate
CID 132500030
diethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1305599
3-cyano-4-(3,4-dimethoxyphenyl)-5-ethoxycarbonyl-1-(3-phenylpropyl)-4H-pyridine-2-carboxylic acid
CID 23128354
ethyl 5-(3,4-dimethoxybenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 22222617
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1291096
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
ethyl 2-(fluoromethyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-pyridine-3-carboxylate
CID 126649743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate (CID 122181893) is ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate is CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
The InChIKey is ASFJYRUFJMGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO5/c1-5-34-28(30)23-18-29(17-19-10-13-21(31-2)14-11-19)24-9-7-6-8-22(24)27(23)20-12-15-25(32-3)26(16-20)33-4/h6-16,18,27H,5,17H2,1-4H3.
What are the key properties of ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate?
ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate has a molecular weight of 459.54 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate is sourced from PubChem (CID 122181893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).