tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate

C19H23FN4O2 — CID 67983619

IUPACtert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CCN(c3cnc4cc(F)ccc4n3)CC21
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)24-10-12-6-7-23(11-16(12)24)17-9-21-15-8-13(20)4-5-14(15)22-17/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3
InChIKeyWUZLOCVWAPHRMN-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate

tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate (PubChem CID 67983619) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
PubChem CID67983619
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Nametert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CCN(c3cnc4cc(F)ccc4n3)CC21
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)24-10-12-6-7-23(11-16(12)24)17-9-21-15-8-13(20)4-5-14(15)22-17/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3
InChIKeyWUZLOCVWAPHRMN-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl (1R,6S)-3-(5-cyano-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
CID 90936873
tert-butyl 2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 162718984
tert-butyl 3-(6-chloropyrazin-2-yl)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 87621908
1-[(3aS,6aS)-5-quinoxalin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]ethanone
CID 70759013
2-tert-butyl-4-[6-[[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]quinoxalin-2-yl]piperazine-1-carboxylic acid
CID 90319571
tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
CID 71647015
N'-cyano-4-(6-fluoroquinoxalin-2-yl)-2-propan-2-ylpiperazine-1-carboximidamide
CID 141390747
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
tert-butyl (3aR,6aR)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 66846748

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate (CID 67983619) is tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate is CC(C)(C)OC(=O)N1CC2CCN(c3cnc4cc(F)ccc4n3)CC21.
What is the InChIKey of tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate?
The InChIKey is WUZLOCVWAPHRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)24-10-12-6-7-23(11-16(12)24)17-9-21-15-8-13(20)4-5-14(15)22-17/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate?
tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate is sourced from PubChem (CID 67983619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).