ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate

C17H15FN2O3 — CID 732004

IUPACethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccco1
InChIInChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-19-15-6-5-11(18)8-13(15)16(14)20-9-12-4-3-7-23-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyLTMIOZMIGZSJNO-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.76
Rot. Bonds5

About ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate

ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate (PubChem CID 732004) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
PubChem CID732004
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Nameethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccco1
InChIInChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-19-15-6-5-11(18)8-13(15)16(14)20-9-12-4-3-7-23-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyLTMIOZMIGZSJNO-UHFFFAOYSA-N
XLogP3.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 6-fluoro-4-[(4-methylsulfinylphenyl)methylamino]quinoline-3-carboxylate
CID 133368806
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate (CID 732004) is ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccco1.
What is the InChIKey of ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The InChIKey is LTMIOZMIGZSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-2-22-17(21)14-10-19-15-6-5-11(18)8-13(15)16(14)20-9-12-4-3-7-23-12/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 732004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).