6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine

C14H12F2N4 — CID 75399991

IUPAC6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine
SMILESFc1cc2ncc(NCCc3ccc[nH]3)nc2cc1F
InChIInChI=1S/C14H12F2N4/c15-10-6-12-13(7-11(10)16)20-14(8-19-12)18-5-3-9-2-1-4-17-9/h1-2,4,6-8,17H,3,5H2,(H,18,20)
InChIKeyDCJXIWNVBXNGRD-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.89
Rot. Bonds4

About 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine

6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine (PubChem CID 75399991) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine
PubChem CID75399991
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine
SMILESFc1cc2ncc(NCCc3ccc[nH]3)nc2cc1F
InChIInChI=1S/C14H12F2N4/c15-10-6-12-13(7-11(10)16)20-14(8-19-12)18-5-3-9-2-1-4-17-9/h1-2,4,6-8,17H,3,5H2,(H,18,20)
InChIKeyDCJXIWNVBXNGRD-UHFFFAOYSA-N
XLogP2.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine (CID 75399991) is 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine is Fc1cc2ncc(NCCc3ccc[nH]3)nc2cc1F.
What is the InChIKey of 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine?
The InChIKey is DCJXIWNVBXNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c15-10-6-12-13(7-11(10)16)20-14(8-19-12)18-5-3-9-2-1-4-17-9/h1-2,4,6-8,17H,3,5H2,(H,18,20).
What are the key properties of 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine?
6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-[2-(1H-pyrrol-2-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 75399991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).