N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine

C17H16FN3O3 — CID 139233457

IUPACN-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H16FN3O3/c1-22-13-8-12(15(18)17(24-3)16(13)23-2)21-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3,(H,20,21)
InChIKeyMOMRJTMDKPNEHT-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.54
Rot. Bonds5

About N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine

N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine (PubChem CID 139233457) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine
PubChem CID139233457
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H16FN3O3/c1-22-13-8-12(15(18)17(24-3)16(13)23-2)21-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3,(H,20,21)
InChIKeyMOMRJTMDKPNEHT-UHFFFAOYSA-N
XLogP3.54
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
CID 23536770
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzonitrile
CID 11624721
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine (CID 139233457) is N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1OC.
What is the InChIKey of N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is MOMRJTMDKPNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-22-13-8-12(15(18)17(24-3)16(13)23-2)21-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine?
N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 329.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).