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

C19H23N3O4 — CID 2592750

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12
InChIInChI=1S/C19H23N3O4/c1-4-10-20-19(25)22-16(23)11-26-18(24)17-12(3)14(5-2)21-15-9-7-6-8-13(15)17/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22,23,25)
InChIKeyYZAGLWIKDOQHRL-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.50
Rot. Bonds6

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

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2592750) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2592750
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12
InChIInChI=1S/C19H23N3O4/c1-4-10-20-19(25)22-16(23)11-26-18(24)17-12(3)14(5-2)21-15-9-7-6-8-13(15)17/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22,23,25)
InChIKeyYZAGLWIKDOQHRL-UHFFFAOYSA-N
XLogP2.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(butylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 26830937
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
[2-oxo-2-(propylamino)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7502181
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2428274
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8007709
[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-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2553438
[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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2592750) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is YZAGLWIKDOQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-10-20-19(25)22-16(23)11-26-18(24)17-12(3)14(5-2)21-15-9-7-6-8-13(15)17/h6-9H,4-5,10-11H2,1-3H3,(H2,20,22,23,25).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2592750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).