methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate

C22H23FN4O2 — CID 70664661

IUPACmethyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCNCC3)nc2c1
InChIInChI=1S/C22H23FN4O2/c1-27(17-9-11-24-12-10-17)21-20(14-3-6-16(23)7-4-14)25-18-8-5-15(22(28)29-2)13-19(18)26-21/h3-8,13,17,24H,9-12H2,1-2H3
InChIKeyXHXFTEJUDNOMSE-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.41
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate (PubChem CID 70664661) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate
PubChem CID70664661
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCNCC3)nc2c1
InChIInChI=1S/C22H23FN4O2/c1-27(17-9-11-24-12-10-17)21-20(14-3-6-16(23)7-4-14)25-18-8-5-15(22(28)29-2)13-19(18)26-21/h3-8,13,17,24H,9-12H2,1-2H3
InChIKeyXHXFTEJUDNOMSE-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.41
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-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate (CID 70664661) is methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCNCC3)nc2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate?
The InChIKey is XHXFTEJUDNOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-27(17-9-11-24-12-10-17)21-20(14-3-6-16(23)7-4-14)25-18-8-5-15(22(28)29-2)13-19(18)26-21/h3-8,13,17,24H,9-12H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 3.41, 4 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-[methyl(piperidin-4-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 70664661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).