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

C26H23NO5 — CID 2366983

IUPACbenzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-29-23-13-18(14-24(30-2)25(23)31-3)22-15-20(19-11-7-8-12-21(19)27-22)26(28)32-16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3
InChIKeyWXWLXCGDKUCENJ-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.28
Rot. Bonds7

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

benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 2366983) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
PubChem CID2366983
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Namebenzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H23NO5/c1-29-23-13-18(14-24(30-2)25(23)31-3)22-15-20(19-11-7-8-12-21(19)27-22)26(28)32-16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3
InChIKeyWXWLXCGDKUCENJ-UHFFFAOYSA-N
XLogP5.28
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 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

naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
[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
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
2-(4-chlorophenoxy)ethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3916137
[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
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3570786
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate (CID 2366983) is benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is COc1cc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is WXWLXCGDKUCENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-29-23-13-18(14-24(30-2)25(23)31-3)22-15-20(19-11-7-8-12-21(19)27-22)26(28)32-16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3.
What are the key properties of benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate?
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2366983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).