2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid

C16H14FNO2 — CID 22769043

IUPAC2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H14FNO2/c17-11-4-1-3-10(9-11)14-8-7-12-13(16(19)20)5-2-6-15(12)18-14/h1,3-4,7-9,13H,2,5-6H2,(H,19,20)
InChIKeyXDOFFCYXLPMFAZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.39
Rot. Bonds2

About 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid

2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid (PubChem CID 22769043) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
PubChem CID22769043
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H14FNO2/c17-11-4-1-3-10(9-11)14-8-7-12-13(16(19)20)5-2-6-15(12)18-14/h1,3-4,7-9,13H,2,5-6H2,(H,19,20)
InChIKeyXDOFFCYXLPMFAZ-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid (CID 22769043) is 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid is O=C(O)C1CCCc2nc(-c3cccc(F)c3)ccc21.
What is the InChIKey of 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid?
The InChIKey is XDOFFCYXLPMFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-11-4-1-3-10(9-11)14-8-7-12-13(16(19)20)5-2-6-15(12)18-14/h1,3-4,7-9,13H,2,5-6H2,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid?
2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid is sourced from PubChem (CID 22769043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).