[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

C17H19N3O4 — CID 46688074

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H19N3O4/c1-3-18-17(23)20-16(22)11(2)24-14(21)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,11H,3,10H2,1-2H3,(H2,18,20,22,23)
InChIKeyDPAVDMKISZUFEX-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.55
Rot. Bonds5

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (PubChem CID 46688074) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
PubChem CID46688074
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H19N3O4/c1-3-18-17(23)20-16(22)11(2)24-14(21)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,11H,3,10H2,1-2H3,(H2,18,20,22,23)
InChIKeyDPAVDMKISZUFEX-UHFFFAOYSA-N
XLogP1.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46481681
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 55561808
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 42937435
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
ethyl 2-quinolin-8-ylacetate
CID 52562898
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 30711153
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 42901482
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (CID 46688074) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is CCNC(=O)NC(=O)C(C)OC(=O)Cc1cccc2cccnc12.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The InChIKey is DPAVDMKISZUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-18-17(23)20-16(22)11(2)24-14(21)10-13-7-4-6-12-8-5-9-19-15(12)13/h4-9,11H,3,10H2,1-2H3,(H2,18,20,22,23).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate has a molecular weight of 329.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 46688074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).