methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate

C23H19FN4O2 — CID 70665008

IUPACmethyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)Cc3ccccn3)nc2c1
InChIInChI=1S/C23H19FN4O2/c1-28(14-18-5-3-4-12-25-18)22-21(15-6-9-17(24)10-7-15)26-19-11-8-16(23(29)30-2)13-20(19)27-22/h3-13H,14H2,1-2H3
InChIKeyYPRHDWWUEAUCMD-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate (PubChem CID 70665008) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate
PubChem CID70665008
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)Cc3ccccn3)nc2c1
InChIInChI=1S/C23H19FN4O2/c1-28(14-18-5-3-4-12-25-18)22-21(15-6-9-17(24)10-7-15)26-19-11-8-16(23(29)30-2)13-20(19)27-22/h3-13H,14H2,1-2H3
InChIKeyYPRHDWWUEAUCMD-UHFFFAOYSA-N
XLogP4.25
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate (CID 70665008) is methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)Cc3ccccn3)nc2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate?
The InChIKey is YPRHDWWUEAUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-28(14-18-5-3-4-12-25-18)22-21(15-6-9-17(24)10-7-15)26-19-11-8-16(23(29)30-2)13-20(19)27-22/h3-13H,14H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 70665008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).