4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile

C15H9FN4O — CID 107669541

IUPAC4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc3ccccc3nc2N)c(F)c1
InChIInChI=1S/C15H9FN4O/c16-10-7-9(8-17)5-6-13(10)21-15-14(18)19-11-3-1-2-4-12(11)20-15/h1-7H,(H2,18,19)
InChIKeyGEUJQGWATXDKDY-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.02
Rot. Bonds2

About 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile

4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile (PubChem CID 107669541) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
PubChem CID107669541
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc3ccccc3nc2N)c(F)c1
InChIInChI=1S/C15H9FN4O/c16-10-7-9(8-17)5-6-13(10)21-15-14(18)19-11-3-1-2-4-12(11)20-15/h1-7H,(H2,18,19)
InChIKeyGEUJQGWATXDKDY-UHFFFAOYSA-N
XLogP3.02
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
CID 107662427
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile
CID 63691863
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
3-(2-fluoro-3-methylphenoxy)quinoxalin-2-amine
CID 107662445
3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
CID 102987884
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile?
The IUPAC name of 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile (CID 107669541) is 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile is N#Cc1ccc(Oc2nc3ccccc3nc2N)c(F)c1.
What is the InChIKey of 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile?
The InChIKey is GEUJQGWATXDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-10-7-9(8-17)5-6-13(10)21-15-14(18)19-11-3-1-2-4-12(11)20-15/h1-7H,(H2,18,19).
What are the key properties of 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile?
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile has a molecular weight of 280.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 107669541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).