ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate

C21H23N3O2 — CID 39886314

IUPACethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(C)cc1
InChIInChI=1S/C21H23N3O2/c1-5-26-21(25)19-20(22-12-16-8-6-13(2)7-9-16)24-18-11-15(4)14(3)10-17(18)23-19/h6-11H,5,12H2,1-4H3,(H,22,24)
InChIKeyOSGSYFDOXLRFEL-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.34
Rot. Bonds5

About ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate

ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate (PubChem CID 39886314) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
PubChem CID39886314
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Nameethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(C)cc1
InChIInChI=1S/C21H23N3O2/c1-5-26-21(25)19-20(22-12-16-8-6-13(2)7-9-16)24-18-11-15(4)14(3)10-17(18)23-19/h6-11H,5,12H2,1-4H3,(H,22,24)
InChIKeyOSGSYFDOXLRFEL-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
ethyl 3-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethylquinoxaline-2-carboxylate
CID 39886329
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886311
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
ethyl 7-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
CID 101059049
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50764997
ethyl 3-methyl-4-[(4-methylphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349816
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
CID 13029756
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
ethyl 4-amino-3-[(4-methylphenyl)methylamino]benzoate
CID 82778563
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
CID 5019647

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate (CID 39886314) is ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(C)cc1.
What is the InChIKey of ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate?
The InChIKey is OSGSYFDOXLRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-26-21(25)19-20(22-12-16-8-6-13(2)7-9-16)24-18-11-15(4)14(3)10-17(18)23-19/h6-11H,5,12H2,1-4H3,(H,22,24).
What are the key properties of ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate?
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate is sourced from PubChem (CID 39886314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).