ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate

C14H12FNO2 — CID 129247870

IUPACethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
SMILESC=Cc1cc2ncc(C(=O)OCC)cc2cc1F
InChIInChI=1S/C14H12FNO2/c1-3-9-7-13-10(6-12(9)15)5-11(8-16-13)14(17)18-4-2/h3,5-8H,1,4H2,2H3
InChIKeyOFPZPGLFUQNKKM-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.19
Rot. Bonds3

About ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate

ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate (PubChem CID 129247870) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
PubChem CID129247870
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Nameethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
SMILESC=Cc1cc2ncc(C(=O)OCC)cc2cc1F
InChIInChI=1S/C14H12FNO2/c1-3-9-7-13-10(6-12(9)15)5-11(8-16-13)14(17)18-4-2/h3,5-8H,1,4H2,2H3
InChIKeyOFPZPGLFUQNKKM-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-(dimethylamino)-6-fluoroquinoline-3-carboxylate
CID 129247650
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
CID 169260890
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 6-(4-carbamoylpiperidin-1-yl)quinoline-3-carboxylate
CID 150911210
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate (CID 129247870) is ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate is C=Cc1cc2ncc(C(=O)OCC)cc2cc1F.
What is the InChIKey of ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate?
The InChIKey is OFPZPGLFUQNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-3-9-7-13-10(6-12(9)15)5-11(8-16-13)14(17)18-4-2/h3,5-8H,1,4H2,2H3.
What are the key properties of ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate?
ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate has a molecular weight of 245.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 129247870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).