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

C17H12FNO2 — CID 3588153

IUPACmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H12FNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyJLPCIFSCLMVANF-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.83
Rot. Bonds2

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

methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 3588153) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID3588153
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H12FNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyJLPCIFSCLMVANF-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 3588153) is methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is JLPCIFSCLMVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
methyl 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3588153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).