methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate

C14H14FNO4 — CID 166783051

IUPACmethyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(C(C)O)c(F)cc2c1
InChIInChI=1S/C14H14FNO4/c1-7(17)12-10(15)5-8-4-9(14(18)20-3)6-11(19-2)13(8)16-12/h4-7,17H,1-3H3
InChIKeyDDBXKYJSYKUQHW-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.22
Rot. Bonds3

About methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate

methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate (PubChem CID 166783051) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
PubChem CID166783051
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Namemethyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(C(C)O)c(F)cc2c1
InChIInChI=1S/C14H14FNO4/c1-7(17)12-10(15)5-8-4-9(14(18)20-3)6-11(19-2)13(8)16-12/h4-7,17H,1-3H3
InChIKeyDDBXKYJSYKUQHW-UHFFFAOYSA-N
XLogP2.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
CID 117325019
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
CID 10040709
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
CID 170992828
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate?
The IUPAC name of methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate (CID 166783051) is methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate?
The canonical SMILES for methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate is COC(=O)c1cc(OC)c2nc(C(C)O)c(F)cc2c1.
What is the InChIKey of methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate?
The InChIKey is DDBXKYJSYKUQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-7(17)12-10(15)5-8-4-9(14(18)20-3)6-11(19-2)13(8)16-12/h4-7,17H,1-3H3.
What are the key properties of methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate?
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate has a molecular weight of 279.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate is sourced from PubChem (CID 166783051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).