ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate

C14H14FNO4 — CID 171866869

IUPACethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cc2cccnc2cc1F
InChIInChI=1S/C14H14FNO4/c1-2-20-14(19)13(18)12(17)9-6-8-4-3-5-16-11(8)7-10(9)15/h3-7,12-13,17-18H,2H2,1H3
InChIKeyVWBLBMYMLNMRHP-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.33
Rot. Bonds4

About ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate

ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate (PubChem CID 171866869) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate
PubChem CID171866869
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Nameethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cc2cccnc2cc1F
InChIInChI=1S/C14H14FNO4/c1-2-20-14(19)13(18)12(17)9-6-8-4-3-5-16-11(8)7-10(9)15/h3-7,12-13,17-18H,2H2,1H3
InChIKeyVWBLBMYMLNMRHP-UHFFFAOYSA-N
XLogP1.33
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate (CID 171866869) is ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1cc2cccnc2cc1F.
What is the InChIKey of ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate?
The InChIKey is VWBLBMYMLNMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-2-20-14(19)13(18)12(17)9-6-8-4-3-5-16-11(8)7-10(9)15/h3-7,12-13,17-18H,2H2,1H3.
What are the key properties of ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate?
ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate has a molecular weight of 279.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-fluoroquinolin-6-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171866869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).