2-ethoxycarbonyl-6-fluoroquinolin-4-olate

C12H9FNO3- — CID 51421181

IUPAC2-ethoxycarbonyl-6-fluoroquinolin-4-olate
SMILESCCOC(=O)c1cc([O-])c2cc(F)ccc2n1
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)/p-1
InChIKeyDEPYDFBYFAIPPA-UHFFFAOYSA-M
MW234.21 g/mol
LogP1.62
Rot. Bonds2

About 2-ethoxycarbonyl-6-fluoroquinolin-4-olate

2-ethoxycarbonyl-6-fluoroquinolin-4-olate (PubChem CID 51421181) has the molecular formula C12H9FNO3- and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-ethoxycarbonyl-6-fluoroquinolin-4-olate.

Molecular Properties

Compound Name2-ethoxycarbonyl-6-fluoroquinolin-4-olate
PubChem CID51421181
Molecular FormulaC12H9FNO3-
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-ethoxycarbonyl-6-fluoroquinolin-4-olate
SMILESCCOC(=O)c1cc([O-])c2cc(F)ccc2n1
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)/p-1
InChIKeyDEPYDFBYFAIPPA-UHFFFAOYSA-M
XLogP1.62
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
CID 71486114
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-6-fluoroquinolin-4-olate?
The IUPAC name of 2-ethoxycarbonyl-6-fluoroquinolin-4-olate (CID 51421181) is 2-ethoxycarbonyl-6-fluoroquinolin-4-olate.
What is the SMILES notation for 2-ethoxycarbonyl-6-fluoroquinolin-4-olate?
The canonical SMILES for 2-ethoxycarbonyl-6-fluoroquinolin-4-olate is CCOC(=O)c1cc([O-])c2cc(F)ccc2n1.
What is the InChIKey of 2-ethoxycarbonyl-6-fluoroquinolin-4-olate?
The InChIKey is DEPYDFBYFAIPPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)/p-1.
What are the key properties of 2-ethoxycarbonyl-6-fluoroquinolin-4-olate?
2-ethoxycarbonyl-6-fluoroquinolin-4-olate has a molecular weight of 234.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-6-fluoroquinolin-4-olate is sourced from PubChem (CID 51421181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).