N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine

C18H19N3O2 — CID 57476570

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
SMILESCOc1ccc(CNc2cnc3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C18H19N3O2/c1-12-4-7-15-16(8-12)19-11-18(21-15)20-10-13-5-6-14(22-2)9-17(13)23-3/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyCBUFXFPZRODFOI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.57
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine (PubChem CID 57476570) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
PubChem CID57476570
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
SMILESCOc1ccc(CNc2cnc3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C18H19N3O2/c1-12-4-7-15-16(8-12)19-11-18(21-15)20-10-13-5-6-14(22-2)9-17(13)23-3/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyCBUFXFPZRODFOI-UHFFFAOYSA-N
XLogP3.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethoxyphenyl)methyl]-6-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

6-methoxy-N-[[2-methoxy-4-(methylamino)phenyl]methyl]quinoxalin-2-amine
CID 163752941
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
3-(1,1-difluoroethyl)-6-[(2,4-dimethoxyphenyl)methylamino]pyrazine-2-carbaldehyde
CID 178073128
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80708230
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine
CID 170700349

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine (CID 57476570) is N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine is COc1ccc(CNc2cnc3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine?
The InChIKey is CBUFXFPZRODFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-4-7-15-16(8-12)19-11-18(21-15)20-10-13-5-6-14(22-2)9-17(13)23-3/h4-9,11H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine is sourced from PubChem (CID 57476570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).