N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride

C16H19Cl2FN4O — CID 119456839

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(F)cc2nccnc12
InChIInChI=1S/C16H17FN4O.2ClH/c17-9-5-13(15-14(6-9)18-3-4-19-15)16(22)21-12-7-10-1-2-11(8-12)20-10;;/h3-6,10-12,20H,1-2,7-8H2,(H,21,22);2*1H
InChIKeySFHNRZOPCNFHTL-UHFFFAOYSA-N
MW373.26 g/mol
LogP2.63
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride (PubChem CID 119456839) has the molecular formula C16H19Cl2FN4O and a molecular weight of 373.26 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
PubChem CID119456839
Molecular FormulaC16H19Cl2FN4O
Molecular Weight373.26 g/mol
Exact Mass372.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(F)cc2nccnc12
InChIInChI=1S/C16H17FN4O.2ClH/c17-9-5-13(15-14(6-9)18-3-4-19-15)16(22)21-12-7-10-1-2-11(8-12)20-10;;/h3-6,10-12,20H,1-2,7-8H2,(H,21,22);2*1H
InChIKeySFHNRZOPCNFHTL-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
CID 124885580
7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
CID 119535235
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-3-methyl-2-nitrobenzamide
CID 119459081
N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119590226
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
CID 119458232

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride (CID 119456839) is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(F)cc2nccnc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
The InChIKey is SFHNRZOPCNFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O.2ClH/c17-9-5-13(15-14(6-9)18-3-4-19-15)16(22)21-12-7-10-1-2-11(8-12)20-10;;/h3-6,10-12,20H,1-2,7-8H2,(H,21,22);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride has a molecular weight of 373.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119456839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).