2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

C22H23NO6 — CID 32773013

IUPAC2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOCCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C22H23NO6/c1-25-9-10-29-22(24)16-13-18(23-17-8-6-5-7-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-8,11-13H,9-10H2,1-4H3
InChIKeyBKIHDFZJCMEXCN-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.73
Rot. Bonds8

About 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 32773013) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
PubChem CID32773013
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOCCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C22H23NO6/c1-25-9-10-29-22(24)16-13-18(23-17-8-6-5-7-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-8,11-13H,9-10H2,1-4H3
InChIKeyBKIHDFZJCMEXCN-UHFFFAOYSA-N
XLogP3.73
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
2-(4-chlorophenoxy)ethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3916137
naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 23771017
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3570786
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2354817
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2527059
[2-(3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 35573461
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (CID 32773013) is 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is COCCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is BKIHDFZJCMEXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-25-9-10-29-22(24)16-13-18(23-17-8-6-5-7-15(16)17)14-11-19(26-2)21(28-4)20(12-14)27-3/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 32773013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).