ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate

C16H20N2O2 — CID 65234270

IUPACethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
SMILESCCNC(CC(=O)OCC)c1cccc2cccnc12
InChIInChI=1S/C16H20N2O2/c1-3-17-14(11-15(19)20-4-2)13-9-5-7-12-8-6-10-18-16(12)13/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyNVCCZAPUFGTXBW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.84
Rot. Bonds6

About ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate

ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate (PubChem CID 65234270) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
PubChem CID65234270
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
SMILESCCNC(CC(=O)OCC)c1cccc2cccnc12
InChIInChI=1S/C16H20N2O2/c1-3-17-14(11-15(19)20-4-2)13-9-5-7-12-8-6-10-18-16(12)13/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyNVCCZAPUFGTXBW-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 2-quinolin-8-ylacetate
CID 52562898
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
ethyl (3S)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95134563
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate?
The IUPAC name of ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate (CID 65234270) is ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate?
The canonical SMILES for ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate is CCNC(CC(=O)OCC)c1cccc2cccnc12.
What is the InChIKey of ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate?
The InChIKey is NVCCZAPUFGTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17-14(11-15(19)20-4-2)13-9-5-7-12-8-6-10-18-16(12)13/h5-10,14,17H,3-4,11H2,1-2H3.
What are the key properties of ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate?
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate has a molecular weight of 272.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate is sourced from PubChem (CID 65234270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).