ethyl 4-fluoroquinoline-2-carboxylate

C12H10FNO2 — CID 125473134

IUPACethyl 4-fluoroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(F)c2ccccc2n1
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3
InChIKeyVWRYRKKOLFQTHV-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.55
Rot. Bonds2

About ethyl 4-fluoroquinoline-2-carboxylate

ethyl 4-fluoroquinoline-2-carboxylate (PubChem CID 125473134) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is ethyl 4-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoroquinoline-2-carboxylate
PubChem CID125473134
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Nameethyl 4-fluoroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(F)c2ccccc2n1
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3
InChIKeyVWRYRKKOLFQTHV-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
2-ethoxycarbonyl-6-fluoroquinolin-4-olate
CID 51421181
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl quinoxaline-2-carboxylate;1H-pyrrole
CID 175129436
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
CID 71486114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoroquinoline-2-carboxylate?
The IUPAC name of ethyl 4-fluoroquinoline-2-carboxylate (CID 125473134) is ethyl 4-fluoroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoroquinoline-2-carboxylate?
The canonical SMILES for ethyl 4-fluoroquinoline-2-carboxylate is CCOC(=O)c1cc(F)c2ccccc2n1.
What is the InChIKey of ethyl 4-fluoroquinoline-2-carboxylate?
The InChIKey is VWRYRKKOLFQTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-fluoroquinoline-2-carboxylate?
ethyl 4-fluoroquinoline-2-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 125473134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).