ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate

C15H16FNO4 — CID 68631923

IUPACethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C15H16FNO4/c1-3-21-15(19)12(18)8-10-11(16)6-4-9-5-7-13(20-2)17-14(9)10/h4-7,12,18H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyFFRRRLPPFOCSCL-LBPRGKRZSA-N
MW293.29 g/mol
LogP1.85
Rot. Bonds5

About ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate

ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate (PubChem CID 68631923) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
PubChem CID68631923
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Nameethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C15H16FNO4/c1-3-21-15(19)12(18)8-10-11(16)6-4-9-5-7-13(20-2)17-14(9)10/h4-7,12,18H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyFFRRRLPPFOCSCL-LBPRGKRZSA-N
XLogP1.85
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate (CID 68631923) is ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate is CCOC(=O)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate?
The InChIKey is FFRRRLPPFOCSCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-3-21-15(19)12(18)8-10-11(16)6-4-9-5-7-13(20-2)17-14(9)10/h4-7,12,18H,3,8H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate?
ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate has a molecular weight of 293.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate is sourced from PubChem (CID 68631923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).