ethyl (2R)-2-quinolin-6-ylpropanoate

C14H15NO2 — CID 86328869

IUPACethyl (2R)-2-quinolin-6-ylpropanoate
SMILESCCOC(=O)[C@H](C)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)10(2)11-6-7-13-12(9-11)5-4-8-15-13/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyWEXDXTGMVWYWLX-SNVBAGLBSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds3

About ethyl (2R)-2-quinolin-6-ylpropanoate

ethyl (2R)-2-quinolin-6-ylpropanoate (PubChem CID 86328869) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl (2R)-2-quinolin-6-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-quinolin-6-ylpropanoate
PubChem CID86328869
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl (2R)-2-quinolin-6-ylpropanoate
SMILESCCOC(=O)[C@H](C)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)10(2)11-6-7-13-12(9-11)5-4-8-15-13/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyWEXDXTGMVWYWLX-SNVBAGLBSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-quinolin-6-ylpropan-1-amine
CID 79002101
N-methylsulfonyl-2-quinolin-6-ylpropanamide
CID 167805827
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-quinolin-6-ylpropanoate?
The IUPAC name of ethyl (2R)-2-quinolin-6-ylpropanoate (CID 86328869) is ethyl (2R)-2-quinolin-6-ylpropanoate.
What is the SMILES notation for ethyl (2R)-2-quinolin-6-ylpropanoate?
The canonical SMILES for ethyl (2R)-2-quinolin-6-ylpropanoate is CCOC(=O)[C@H](C)c1ccc2ncccc2c1.
What is the InChIKey of ethyl (2R)-2-quinolin-6-ylpropanoate?
The InChIKey is WEXDXTGMVWYWLX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-14(16)10(2)11-6-7-13-12(9-11)5-4-8-15-13/h4-10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-quinolin-6-ylpropanoate?
ethyl (2R)-2-quinolin-6-ylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-quinolin-6-ylpropanoate is sourced from PubChem (CID 86328869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).