[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

C23H24N2O5 — CID 2484643

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C23H24N2O5/c1-15-12-18(17-6-4-5-7-19(17)25-15)23(27)30-14-22(26)24-11-10-16-8-9-20(28-2)21(13-16)29-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,26)
InChIKeyLIVBHNWBIJJCQT-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.08
Rot. Bonds8

About [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2484643) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2484643
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C23H24N2O5/c1-15-12-18(17-6-4-5-7-19(17)25-15)23(27)30-14-22(26)24-11-10-16-8-9-20(28-2)21(13-16)29-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,26)
InChIKeyLIVBHNWBIJJCQT-UHFFFAOYSA-N
XLogP3.08
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484633
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
CID 8577440
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298653
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009331
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18151669
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 42979482

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2484643) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is LIVBHNWBIJJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-12-18(17-6-4-5-7-19(17)25-15)23(27)30-14-22(26)24-11-10-16-8-9-20(28-2)21(13-16)29-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,26).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).