tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate

C23H25FN4O3 — CID 58599417

IUPACtert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(-c3ccccc3F)c2=O)CC1
InChIInChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)27-14-12-26(13-15-27)20-21(29)28(18-10-6-4-8-16(18)24)19-11-7-5-9-17(19)25-20/h4-11H,12-15H2,1-3H3
InChIKeyJJKVTCWEUNLQBR-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate (PubChem CID 58599417) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate
PubChem CID58599417
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Nametert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(-c3ccccc3F)c2=O)CC1
InChIInChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)27-14-12-26(13-15-27)20-21(29)28(18-10-6-4-8-16(18)24)19-11-7-5-9-17(19)25-20/h4-11H,12-15H2,1-3H3
InChIKeyJJKVTCWEUNLQBR-UHFFFAOYSA-N
XLogP3.58
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate (CID 58599417) is tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(-c3ccccc3F)c2=O)CC1.
What is the InChIKey of tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate?
The InChIKey is JJKVTCWEUNLQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-23(2,3)31-22(30)27-14-12-26(13-15-27)20-21(29)28(18-10-6-4-8-16(18)24)19-11-7-5-9-17(19)25-20/h4-11H,12-15H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-fluorophenyl)-3-oxoquinoxalin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 58599417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).