N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine

C16H13F2N3O2 — CID 139233455

IUPACN-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C16H13F2N3O2/c1-22-12-7-11(14(17)16(23-2)15(12)18)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21)
InChIKeyWYGMGKMPZFVLKZ-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.67
Rot. Bonds4

About N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine

N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine (PubChem CID 139233455) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
PubChem CID139233455
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C16H13F2N3O2/c1-22-12-7-11(14(17)16(23-2)15(12)18)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21)
InChIKeyWYGMGKMPZFVLKZ-UHFFFAOYSA-N
XLogP3.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine (CID 139233455) is N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1F.
What is the InChIKey of N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is WYGMGKMPZFVLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-22-12-7-11(14(17)16(23-2)15(12)18)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 317.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).