ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate

C22H25N3O4 — CID 39886311

IUPACethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1cc(OC)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-6-29-22(26)20-21(25-18-10-14(3)13(2)9-17(18)24-20)23-12-15-11-16(27-4)7-8-19(15)28-5/h7-11H,6,12H2,1-5H3,(H,23,25)
InChIKeyOMGLJBIGHBUQIP-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.05
Rot. Bonds7

About ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate

ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate (PubChem CID 39886311) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
PubChem CID39886311
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1cc(OC)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-6-29-22(26)20-21(25-18-10-14(3)13(2)9-17(18)24-20)23-12-15-11-16(27-4)7-8-19(15)28-5/h7-11H,6,12H2,1-5H3,(H,23,25)
InChIKeyOMGLJBIGHBUQIP-UHFFFAOYSA-N
XLogP4.05
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
ethyl 4-[(2,5-dimethoxyphenyl)methylamino]-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340231
ethyl 4-[(2,5-dimethoxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340157
ethyl 3-(1,3-benzodioxol-5-ylmethylamino)-6,7-dimethylquinoxaline-2-carboxylate
CID 39886329
ethyl 7-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
CID 101059049
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
ethyl 4-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 122442173
N-[(2,5-dimethoxyphenyl)methyl]-2-ethyl-6-methylaniline
CID 60924688
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 56811795

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate (CID 39886311) is ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The InChIKey is OMGLJBIGHBUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-6-29-22(26)20-21(25-18-10-14(3)13(2)9-17(18)24-20)23-12-15-11-16(27-4)7-8-19(15)28-5/h7-11H,6,12H2,1-5H3,(H,23,25).
What are the key properties of ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 39886311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).