N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine

C15H9F4N3 — CID 139233488

IUPACN-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine
SMILESCN(c1cnc2ccccc2n1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H9F4N3/c1-22(11-6-8(16)13(17)15(19)14(11)18)12-7-20-9-4-2-3-5-10(9)21-12/h2-7H,1H3
InChIKeyWMTYRIBKLFPWDH-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.95
Rot. Bonds2

About N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine

N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine (PubChem CID 139233488) has the molecular formula C15H9F4N3 and a molecular weight of 307.25 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine
PubChem CID139233488
Molecular FormulaC15H9F4N3
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC NameN-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine
SMILESCN(c1cnc2ccccc2n1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H9F4N3/c1-22(11-6-8(16)13(17)15(19)14(11)18)12-7-20-9-4-2-3-5-10(9)21-12/h2-7H,1H3
InChIKeyWMTYRIBKLFPWDH-UHFFFAOYSA-N
XLogP3.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethylpyrido[2,3-b]pyrazine
CID 252159
N-methylquinoxalin-2-amine
CID 351423
2-Aminoquinoxaline
CID 224573
2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
1-(2-pyridinyl)-1H-benzimidazole
CID 852492
4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoline
CID 10378253
2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2-Acetamidoquinoxaline
CID 589480
3-(Pyrrolidin-1-yl)quinoxalin-2-amine
CID 2041326
AChE inhibitor 6f
CID 118796570
2-Methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline
CID 165414867
3-(4'-Fluorophenyl)pyrido[2,3-b]pyrazine (6e)
CID 23988112

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine?
The IUPAC name of N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine (CID 139233488) is N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine is CN(c1cnc2ccccc2n1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine?
The InChIKey is WMTYRIBKLFPWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3/c1-22(11-6-8(16)13(17)15(19)14(11)18)12-7-20-9-4-2-3-5-10(9)21-12/h2-7H,1H3.
What are the key properties of N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine?
N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine has a molecular weight of 307.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5-tetrafluorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).