2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine

C20H12F4N4 — CID 177346625

IUPAC2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
SMILESFc1cc(F)cc(Nc2nc3ccccc3nc2Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H12F4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyXMNTVWCZBHSMST-UHFFFAOYSA-N
MW384.34 g/mol
LogP5.67
Rot. Bonds4

About 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine (PubChem CID 177346625) has the molecular formula C20H12F4N4 and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
PubChem CID177346625
Molecular FormulaC20H12F4N4
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine
SMILESFc1cc(F)cc(Nc2nc3ccccc3nc2Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H12F4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyXMNTVWCZBHSMST-UHFFFAOYSA-N
XLogP5.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
2-(3,5-difluoroanilino)pyridine-3-carbonitrile
CID 24703722
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine (CID 177346625) is 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine is Fc1cc(F)cc(Nc2nc3ccccc3nc2Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is XMNTVWCZBHSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine has a molecular weight of 384.34 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,5-difluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 177346625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).