[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

C18H22N2O3 — CID 7502181

IUPAC[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1c(CC)nc2ccccc2c1C
InChIInChI=1S/C18H22N2O3/c1-4-10-19-16(21)11-23-18(22)17-12(3)13-8-6-7-9-15(13)20-14(17)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyRSWFXSFDFZYHQB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds6

About [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate

[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 7502181) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID7502181
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCCNC(=O)COC(=O)c1c(CC)nc2ccccc2c1C
InChIInChI=1S/C18H22N2O3/c1-4-10-19-16(21)11-23-18(22)17-12(3)13-8-6-7-9-15(13)20-14(17)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyRSWFXSFDFZYHQB-UHFFFAOYSA-N
XLogP2.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668121
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592750
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536445
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501904
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8668101
[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536626
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
[2-(butylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 26830937
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536301
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536278
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8011238
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825051

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate (CID 7502181) is [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is CCCNC(=O)COC(=O)c1c(CC)nc2ccccc2c1C.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is RSWFXSFDFZYHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-10-19-16(21)11-23-18(22)17-12(3)13-8-6-7-9-15(13)20-14(17)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate?
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 7502181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).