ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate

C23H27N3O4 — CID 39886332

IUPACethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-6-29-19-9-8-16(12-20(19)28-5)13-24-22-21(23(27)30-7-2)25-17-10-14(3)15(4)11-18(17)26-22/h8-12H,6-7,13H2,1-5H3,(H,24,26)
InChIKeyHXKAQLDZFLEMLS-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.44
Rot. Bonds8

About ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate

ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate (PubChem CID 39886332) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
PubChem CID39886332
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nameethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-6-29-19-9-8-16(12-20(19)28-5)13-24-22-21(23(27)30-7-2)25-17-10-14(3)15(4)11-18(17)26-22/h8-12H,6-7,13H2,1-5H3,(H,24,26)
InChIKeyHXKAQLDZFLEMLS-UHFFFAOYSA-N
XLogP4.44
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
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
ethyl 7-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
CID 101059049
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
3-[(3,4-dimethoxyphenyl)methylamino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid
CID 101059056
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133471195
ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 22025937
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate (CID 39886332) is ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccc(OCC)c(OC)c1.
What is the InChIKey of ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
The InChIKey is HXKAQLDZFLEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-6-29-19-9-8-16(12-20(19)28-5)13-24-22-21(23(27)30-7-2)25-17-10-14(3)15(4)11-18(17)26-22/h8-12H,6-7,13H2,1-5H3,(H,24,26).
What are the key properties of ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate?
ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 39886332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).