ethyl 7-fluoroquinoline-8-carboxylate

C12H10FNO2 — CID 71721095

IUPACethyl 7-fluoroquinoline-8-carboxylate
SMILESCCOC(=O)c1c(F)ccc2cccnc12
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)10-9(13)6-5-8-4-3-7-14-11(8)10/h3-7H,2H2,1H3
InChIKeyDBWXZVWSCRRLNU-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.55
Rot. Bonds2

About ethyl 7-fluoroquinoline-8-carboxylate

ethyl 7-fluoroquinoline-8-carboxylate (PubChem CID 71721095) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is ethyl 7-fluoroquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoroquinoline-8-carboxylate
PubChem CID71721095
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Nameethyl 7-fluoroquinoline-8-carboxylate
SMILESCCOC(=O)c1c(F)ccc2cccnc12
InChIInChI=1S/C12H10FNO2/c1-2-16-12(15)10-9(13)6-5-8-4-3-7-14-11(8)10/h3-7H,2H2,1H3
InChIKeyDBWXZVWSCRRLNU-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

7-fluoroquinoline-8-carboxylic acid
CID 71721093
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate
CID 174075073
diethyl 11-(4-chlorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate
CID 45051509
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 2-[(dimethylamino)methyl]-5-fluoro-1H-benzimidazole-4-carboxylate
CID 70825420
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoroquinoline-8-carboxylate?
The IUPAC name of ethyl 7-fluoroquinoline-8-carboxylate (CID 71721095) is ethyl 7-fluoroquinoline-8-carboxylate.
What is the SMILES notation for ethyl 7-fluoroquinoline-8-carboxylate?
The canonical SMILES for ethyl 7-fluoroquinoline-8-carboxylate is CCOC(=O)c1c(F)ccc2cccnc12.
What is the InChIKey of ethyl 7-fluoroquinoline-8-carboxylate?
The InChIKey is DBWXZVWSCRRLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-2-16-12(15)10-9(13)6-5-8-4-3-7-14-11(8)10/h3-7H,2H2,1H3.
What are the key properties of ethyl 7-fluoroquinoline-8-carboxylate?
ethyl 7-fluoroquinoline-8-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 7-fluoroquinoline-8-carboxylate is sourced from PubChem (CID 71721095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).