[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C16H18N2O3 — CID 2417862

IUPAC[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NC)c1C
InChIInChI=1S/C16H18N2O3/c1-4-12-10(2)15(16(20)21-9-14(19)17-3)11-7-5-6-8-13(11)18-12/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyIMYUUWFMWDMWIA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.01
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2417862) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2417862
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)NC)c1C
InChIInChI=1S/C16H18N2O3/c1-4-12-10(2)15(16(20)21-9-14(19)17-3)11-7-5-6-8-13(11)18-12/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyIMYUUWFMWDMWIA-UHFFFAOYSA-N
XLogP2.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2428274
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592750
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 23933540
[2-(butylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 26830937
[2-(methylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18149529
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2091899
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847154
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847173
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8940274
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2553438

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2417862) is [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)NC)c1C.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is IMYUUWFMWDMWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-12-10(2)15(16(20)21-9-14(19)17-3)11-7-5-6-8-13(11)18-12/h5-8H,4,9H2,1-3H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2417862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).