methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate

C22H17FN4O2 — CID 70664876

IUPACmethyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NCc3ccccn3)nc2c1
InChIInChI=1S/C22H17FN4O2/c1-29-22(28)15-7-10-18-19(12-15)27-21(25-13-17-4-2-3-11-24-17)20(26-18)14-5-8-16(23)9-6-14/h2-12H,13H2,1H3,(H,25,27)
InChIKeyWUQGRDFVKZKFCM-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.23
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate (PubChem CID 70664876) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate
PubChem CID70664876
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Namemethyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NCc3ccccn3)nc2c1
InChIInChI=1S/C22H17FN4O2/c1-29-22(28)15-7-10-18-19(12-15)27-21(25-13-17-4-2-3-11-24-17)20(26-18)14-5-8-16(23)9-6-14/h2-12H,13H2,1H3,(H,25,27)
InChIKeyWUQGRDFVKZKFCM-UHFFFAOYSA-N
XLogP4.23
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate (CID 70664876) is methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NCc3ccccn3)nc2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate?
The InChIKey is WUQGRDFVKZKFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-29-22(28)15-7-10-18-19(12-15)27-21(25-13-17-4-2-3-11-24-17)20(26-18)14-5-8-16(23)9-6-14/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-(pyridin-2-ylmethylamino)quinoxaline-6-carboxylate is sourced from PubChem (CID 70664876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).