[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate

C27H24N2O4 — CID 41136561

IUPAC[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
SMILESCCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H24N2O4/c1-3-32-24-16-10-9-15-23(24)29-26(30)25(19-11-5-4-6-12-19)33-27(31)21-17-18(2)28-22-14-8-7-13-20(21)22/h4-17,25H,3H2,1-2H3,(H,29,30)/t25-/m1/s1
InChIKeyLFSQQICLCGNEGS-RUZDIDTESA-N
MW440.50 g/mol
LogP5.48
Rot. Bonds7

About [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate (PubChem CID 41136561) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
PubChem CID41136561
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
SMILESCCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H24N2O4/c1-3-32-24-16-10-9-15-23(24)29-26(30)25(19-11-5-4-6-12-19)33-27(31)21-17-18(2)28-22-14-8-7-13-20(21)22/h4-17,25H,3H2,1-2H3,(H,29,30)/t25-/m1/s1
InChIKeyLFSQQICLCGNEGS-RUZDIDTESA-N
XLogP5.48
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2390960
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 7351543
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 4004793
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911995
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 16508788
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 42981819
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-bromo-2-fluorobenzoate
CID 46797013
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55768909
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3,5-dichlorobenzoate
CID 16568840
(2S)-N-(2-ethoxyphenyl)-2-naphthalen-1-yloxy-2-phenylacetamide
CID 7506073

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate (CID 41136561) is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate is CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is LFSQQICLCGNEGS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H24N2O4/c1-3-32-24-16-10-9-15-23(24)29-26(30)25(19-11-5-4-6-12-19)33-27(31)21-17-18(2)28-22-14-8-7-13-20(21)22/h4-17,25H,3H2,1-2H3,(H,29,30)/t25-/m1/s1.
What are the key properties of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate?
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 41136561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).