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

C15H18N2O2 — CID 65236794

IUPACethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
SMILESCCOC(=O)CC(NC)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-3-19-14(18)10-13(16-2)12-8-4-6-11-7-5-9-17-15(11)12/h4-9,13,16H,3,10H2,1-2H3
InChIKeyJVTFCOVWHZARGK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate (PubChem CID 65236794) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
PubChem CID65236794
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
SMILESCCOC(=O)CC(NC)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-3-19-14(18)10-13(16-2)12-8-4-6-11-7-5-9-17-15(11)12/h4-9,13,16H,3,10H2,1-2H3
InChIKeyJVTFCOVWHZARGK-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
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
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
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
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate?
The IUPAC name of ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate (CID 65236794) is ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate.
What is the SMILES notation for ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate?
The canonical SMILES for ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate is CCOC(=O)CC(NC)c1cccc2cccnc12.
What is the InChIKey of ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate?
The InChIKey is JVTFCOVWHZARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-14(18)10-13(16-2)12-8-4-6-11-7-5-9-17-15(11)12/h4-9,13,16H,3,10H2,1-2H3.
What are the key properties of ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate?
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate has a molecular weight of 258.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate is sourced from PubChem (CID 65236794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).