5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid

C19H17FN2O2 — CID 67981675

IUPAC5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-14-11-9-13(10-12-14)19-17(7-3-4-8-18(23)24)21-15-5-1-2-6-16(15)22-19/h1-2,5-6,9-12H,3-4,7-8H2,(H,23,24)
InChIKeyNGSMNVYBAUGFQY-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.23
Rot. Bonds6

About 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid

5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid (PubChem CID 67981675) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid
PubChem CID67981675
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-14-11-9-13(10-12-14)19-17(7-3-4-8-18(23)24)21-15-5-1-2-6-16(15)22-19/h1-2,5-6,9-12H,3-4,7-8H2,(H,23,24)
InChIKeyNGSMNVYBAUGFQY-UHFFFAOYSA-N
XLogP4.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid?
The IUPAC name of 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid (CID 67981675) is 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid?
The canonical SMILES for 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid is O=C(O)CCCCc1nc2ccccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid?
The InChIKey is NGSMNVYBAUGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-14-11-9-13(10-12-14)19-17(7-3-4-8-18(23)24)21-15-5-1-2-6-16(15)22-19/h1-2,5-6,9-12H,3-4,7-8H2,(H,23,24).
What are the key properties of 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid?
5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid has a molecular weight of 324.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)quinoxalin-2-yl]pentanoic acid is sourced from PubChem (CID 67981675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).