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

C16H12F3N3O — CID 139233474

IUPACN-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(F)cc(N(C)c2cnc3ccccc3n2)c1F
InChIInChI=1S/C16H12F3N3O/c1-22(12-7-9(17)14(18)16(23-2)15(12)19)13-8-20-10-5-3-4-6-11(10)21-13/h3-8H,1-2H3
InChIKeyCEJQKWVUXAJZPC-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.82
Rot. Bonds3

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

N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine (PubChem CID 139233474) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
PubChem CID139233474
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(F)cc(N(C)c2cnc3ccccc3n2)c1F
InChIInChI=1S/C16H12F3N3O/c1-22(12-7-9(17)14(18)16(23-2)15(12)19)13-8-20-10-5-3-4-6-11(10)21-13/h3-8H,1-2H3
InChIKeyCEJQKWVUXAJZPC-UHFFFAOYSA-N
XLogP3.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-fluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
CID 164611321
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
CID 10452995
2-Cyclohexylamino-6,7-dimethoxyquinoxaline
CID 22573150
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 820005
6-Methoxyquinoxaline
CID 241501
1-(3-Methoxyphenyl)-1H-benzoimidazole
CID 5328437
2-[4-(3-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 3813537
1-N,1-N-diethyl-4-N-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)pentane-1,4-diamine
CID 11462375
(7-Methoxy-quinoxalin-2-yl)-phenyl-amine
CID 44335539

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine (CID 139233474) is N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine is COc1c(F)c(F)cc(N(C)c2cnc3ccccc3n2)c1F.
What is the InChIKey of N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is CEJQKWVUXAJZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22(12-7-9(17)14(18)16(23-2)15(12)19)13-8-20-10-5-3-4-6-11(10)21-13/h3-8H,1-2H3.
What are the key properties of N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine?
N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).