(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

C21H14FNO3 — CID 2399297

IUPAC(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H14FNO3/c22-15-9-7-14(8-10-15)13-26-21(24)17-12-19(20-6-3-11-25-20)23-18-5-2-1-4-16(17)18/h1-12H,13H2
InChIKeyLZXGOUXMHVXYLC-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.99
Rot. Bonds4

About (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2399297) has the molecular formula C21H14FNO3 and a molecular weight of 347.35 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2399297
Molecular FormulaC21H14FNO3
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H14FNO3/c22-15-9-7-14(8-10-15)13-26-21(24)17-12-19(20-6-3-11-25-20)23-18-5-2-1-4-16(17)18/h1-12H,13H2
InChIKeyLZXGOUXMHVXYLC-UHFFFAOYSA-N
XLogP4.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 2399297) is (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is LZXGOUXMHVXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3/c22-15-9-7-14(8-10-15)13-26-21(24)17-12-19(20-6-3-11-25-20)23-18-5-2-1-4-16(17)18/h1-12H,13H2.
What are the key properties of (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
(4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2399297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).