[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate

C23H24N2O4 — CID 55471451

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C23H24N2O4/c1-5-16-8-6-7-14(2)22(16)25-21(26)13-29-23(27)19-11-17-9-10-18(28-4)12-20(17)24-15(19)3/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeySOABHSXMPJVUGB-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.22
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate (PubChem CID 55471451) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
PubChem CID55471451
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C23H24N2O4/c1-5-16-8-6-7-14(2)22(16)25-21(26)13-29-23(27)19-11-17-9-10-18(28-4)12-20(17)24-15(19)3/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeySOABHSXMPJVUGB-UHFFFAOYSA-N
XLogP4.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7441971
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825120
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55471512
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 18128509
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate (CID 55471451) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate is CCc1cccc(C)c1NC(=O)COC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
The InChIKey is SOABHSXMPJVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-5-16-8-6-7-14(2)22(16)25-21(26)13-29-23(27)19-11-17-9-10-18(28-4)12-20(17)24-15(19)3/h6-12H,5,13H2,1-4H3,(H,25,26).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 55471451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).