N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine

C15H10F3N3O — CID 139233454

IUPACN-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(F)cc(Nc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H10F3N3O/c1-22-15-13(17)8(16)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21)
InChIKeyZMKYLPFZCORIRE-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.80
Rot. Bonds3

About N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine

N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine (PubChem CID 139233454) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
PubChem CID139233454
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC NameN-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(F)cc(Nc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H10F3N3O/c1-22-15-13(17)8(16)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21)
InChIKeyZMKYLPFZCORIRE-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanol
CID 9796455
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
(6,7-Dimethoxy-quinoxalin-2-yl)-(3-methyl-cyclohexyl)-amine
CID 22573148
2-Cyclohexylamino-6,7-dimethoxyquinoxaline
CID 22573150
Cyclopentyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 22573167
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
CID 91827633

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine (CID 139233454) is N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine is COc1c(F)c(F)cc(Nc2cnc3ccccc3n2)c1F.
What is the InChIKey of N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is ZMKYLPFZCORIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-22-15-13(17)8(16)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21).
What are the key properties of N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 305.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).