ethyl 3-hydroxy-3-quinolin-2-ylpropanoate

C14H15NO3 — CID 59168927

IUPACethyl 3-hydroxy-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)CC(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-8,13,16H,2,9H2,1H3
InChIKeyNXUUYEOFLANLGX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.22
Rot. Bonds4

About ethyl 3-hydroxy-3-quinolin-2-ylpropanoate

ethyl 3-hydroxy-3-quinolin-2-ylpropanoate (PubChem CID 59168927) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-quinolin-2-ylpropanoate
PubChem CID59168927
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 3-hydroxy-3-quinolin-2-ylpropanoate
SMILESCCOC(=O)CC(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-8,13,16H,2,9H2,1H3
InChIKeyNXUUYEOFLANLGX-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
2-amino-1-quinolin-2-ylbutan-1-ol
CID 64955097
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
amino(quinolin-2-yl)methanol
CID 154237779
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-quinolin-2-ylpropanoate?
The IUPAC name of ethyl 3-hydroxy-3-quinolin-2-ylpropanoate (CID 59168927) is ethyl 3-hydroxy-3-quinolin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-quinolin-2-ylpropanoate?
The canonical SMILES for ethyl 3-hydroxy-3-quinolin-2-ylpropanoate is CCOC(=O)CC(O)c1ccc2ccccc2n1.
What is the InChIKey of ethyl 3-hydroxy-3-quinolin-2-ylpropanoate?
The InChIKey is NXUUYEOFLANLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-8,13,16H,2,9H2,1H3.
What are the key properties of ethyl 3-hydroxy-3-quinolin-2-ylpropanoate?
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate has a molecular weight of 245.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-quinolin-2-ylpropanoate is sourced from PubChem (CID 59168927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).