(4-fluorophenyl)methyl quinoline-2-carboxylate

C17H12FNO2 — CID 2400148

IUPAC(4-fluorophenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12FNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyJDZHDJUOWDOODP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.73
Rot. Bonds3

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

(4-fluorophenyl)methyl quinoline-2-carboxylate (PubChem CID 2400148) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4-fluorophenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl quinoline-2-carboxylate
PubChem CID2400148
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4-fluorophenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12FNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyJDZHDJUOWDOODP-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl quinoline-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl quinoline-2-carboxylate (CID 2400148) is (4-fluorophenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl quinoline-2-carboxylate is O=C(OCc1ccc(F)cc1)c1ccc2ccccc2n1.
What is the InChIKey of (4-fluorophenyl)methyl quinoline-2-carboxylate?
The InChIKey is JDZHDJUOWDOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2.
What are the key properties of (4-fluorophenyl)methyl quinoline-2-carboxylate?
(4-fluorophenyl)methyl quinoline-2-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 2400148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).