ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate

C15H16FNO5 — CID 68630515

IUPACethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C15H16FNO5/c1-3-22-15(20)14(19)13(18)11-9(16)6-4-8-5-7-10(21-2)17-12(8)11/h4-7,13-14,18-19H,3H2,1-2H3/t13-,14+/m1/s1
InChIKeyKEHIDWYJVDWJCI-KGLIPLIRSA-N
MW309.29 g/mol
LogP1.34
Rot. Bonds5

About ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate

ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate (PubChem CID 68630515) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
PubChem CID68630515
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Nameethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C15H16FNO5/c1-3-22-15(20)14(19)13(18)11-9(16)6-4-8-5-7-10(21-2)17-12(8)11/h4-7,13-14,18-19H,3H2,1-2H3/t13-,14+/m1/s1
InChIKeyKEHIDWYJVDWJCI-KGLIPLIRSA-N
XLogP1.34
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
CID 68631923
ethyl (2S)-2-bromo-3-(7-fluoro-2-methoxyquinolin-8-yl)propanoate
CID 87522904
ethyl 3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866170
(7-fluoro-2-methoxyquinolin-8-yl) propanoate
CID 90871559
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
CID 90362983
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 3-[2-(difluoromethoxy)-6-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866686
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate (CID 68630515) is ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate is CCOC(=O)[C@@H](O)[C@H](O)c1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate?
The InChIKey is KEHIDWYJVDWJCI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H16FNO5/c1-3-22-15(20)14(19)13(18)11-9(16)6-4-8-5-7-10(21-2)17-12(8)11/h4-7,13-14,18-19H,3H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate?
ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate has a molecular weight of 309.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 68630515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).