3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline

C20H14FN3O — CID 45488173

IUPAC3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline
SMILESCOc1ccc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14FN3O/c1-25-16-6-7-17-18(12-16)24-19(13-2-4-15(21)5-3-13)20(23-17)14-8-10-22-11-9-14/h2-12H,1H3
InChIKeyOFWVESOEQMMFAK-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.51
Rot. Bonds3

About 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline

3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline (PubChem CID 45488173) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline
PubChem CID45488173
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline
SMILESCOc1ccc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14FN3O/c1-25-16-6-7-17-18(12-16)24-19(13-2-4-15(21)5-3-13)20(23-17)14-8-10-22-11-9-14/h2-12H,1H3
InChIKeyOFWVESOEQMMFAK-UHFFFAOYSA-N
XLogP4.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline?
The IUPAC name of 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline (CID 45488173) is 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline?
The canonical SMILES for 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline is COc1ccc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline?
The InChIKey is OFWVESOEQMMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-25-16-6-7-17-18(12-16)24-19(13-2-4-15(21)5-3-13)20(23-17)14-8-10-22-11-9-14/h2-12H,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline?
3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline has a molecular weight of 331.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methoxy-2-pyridin-4-ylquinoxaline is sourced from PubChem (CID 45488173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).