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

C16H12F3N3O — CID 139233489

IUPACN-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(F)c1F
InChIInChI=1S/C16H12F3N3O/c1-22(11-7-12(23-2)15(18)16(19)14(11)17)13-8-20-9-5-3-4-6-10(9)21-13/h3-8H,1-2H3
InChIKeyPLGZMTCQQGPNPF-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.82
Rot. Bonds3

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

N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine (PubChem CID 139233489) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine
PubChem CID139233489
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(F)c1F
InChIInChI=1S/C16H12F3N3O/c1-22(11-7-12(23-2)15(18)16(19)14(11)17)13-8-20-9-5-3-4-6-10(9)21-13/h3-8H,1-2H3
InChIKeyPLGZMTCQQGPNPF-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_2', '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
(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
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
CID 10452995
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine (CID 139233489) is N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine is COc1cc(N(C)c2cnc3ccccc3n2)c(F)c(F)c1F.
What is the InChIKey of N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is PLGZMTCQQGPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22(11-7-12(23-2)15(18)16(19)14(11)17)13-8-20-9-5-3-4-6-10(9)21-13/h3-8H,1-2H3.
What are the key properties of N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine?
N-methyl-N-(2,3,4-trifluoro-5-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-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).