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

C18H18FN3O3 — CID 139233477

IUPACN-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C18H18FN3O3/c1-22(15-10-20-11-7-5-6-8-12(11)21-15)13-9-14(23-2)17(24-3)18(25-4)16(13)19/h5-10H,1-4H3
InChIKeyJBOQUSJPMAMODU-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.56
Rot. Bonds5

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

N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine (PubChem CID 139233477) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine
PubChem CID139233477
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C18H18FN3O3/c1-22(15-10-20-11-7-5-6-8-12(11)21-15)13-9-14(23-2)17(24-3)18(25-4)16(13)19/h5-10H,1-4H3
InChIKeyJBOQUSJPMAMODU-UHFFFAOYSA-N
XLogP3.56
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-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

N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
CID 23536770
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
N2-(pyridin-4-yl)-N6-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 24879390
4-({6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}amino)phenol
CID 135923565
6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 71681188
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
6-[(3,4,5-Trimethoxyanilino)methyl]pteridine-2,4-diamine
CID 456430
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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine?
The IUPAC name of N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine (CID 139233477) is N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine is COc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1OC.
What is the InChIKey of N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine?
The InChIKey is JBOQUSJPMAMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-22(15-10-20-11-7-5-6-8-12(11)21-15)13-9-14(23-2)17(24-3)18(25-4)16(13)19/h5-10H,1-4H3.
What are the key properties of N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine?
N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine has a molecular weight of 343.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 139233477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).