ethyl 2-methyl-3-quinolin-2-ylpropanoate

C15H17NO2 — CID 59134939

IUPACethyl 2-methyl-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)C(C)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-9,11H,3,10H2,1-2H3
InChIKeyJMBORSLOHIWTIH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.98
Rot. Bonds4

About ethyl 2-methyl-3-quinolin-2-ylpropanoate

ethyl 2-methyl-3-quinolin-2-ylpropanoate (PubChem CID 59134939) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 2-methyl-3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-quinolin-2-ylpropanoate
PubChem CID59134939
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 2-methyl-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)C(C)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H17NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-9,11H,3,10H2,1-2H3
InChIKeyJMBORSLOHIWTIH-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl (2S)-2-cyano-3-quinolin-2-ylpropanoate
CID 98041403
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate
CID 171812265
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
3-ethoxy-2-methyl-3-oxo-2-(quinolin-2-ylmethyl)propanoic acid
CID 103973764
(2S)-4-methyl-1-quinolin-2-yl-2-(1-sulfanylethylamino)pentan-3-one
CID 146366568
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-quinolin-2-ylpropanoate?
The IUPAC name of ethyl 2-methyl-3-quinolin-2-ylpropanoate (CID 59134939) is ethyl 2-methyl-3-quinolin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-3-quinolin-2-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-3-quinolin-2-ylpropanoate is CCOC(=O)C(C)Cc1ccc2ccccc2n1.
What is the InChIKey of ethyl 2-methyl-3-quinolin-2-ylpropanoate?
The InChIKey is JMBORSLOHIWTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-quinolin-2-ylpropanoate?
ethyl 2-methyl-3-quinolin-2-ylpropanoate has a molecular weight of 243.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-quinolin-2-ylpropanoate is sourced from PubChem (CID 59134939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).