N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide

C16H18N4O — CID 62876064

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc2nccnc2c1
InChIInChI=1S/C16H18N4O/c21-16(20-13-8-11-2-3-12(9-13)19-11)10-1-4-14-15(7-10)18-6-5-17-14/h1,4-7,11-13,19H,2-3,8-9H2,(H,20,21)
InChIKeyUMFMVKMEJXBJHW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.64
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide (PubChem CID 62876064) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
PubChem CID62876064
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc2nccnc2c1
InChIInChI=1S/C16H18N4O/c21-16(20-13-8-11-2-3-12(9-13)19-11)10-1-4-14-15(7-10)18-6-5-17-14/h1,4-7,11-13,19H,2-3,8-9H2,(H,20,21)
InChIKeyUMFMVKMEJXBJHW-UHFFFAOYSA-N
XLogP1.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 140823182
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
CID 74234094

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide (CID 62876064) is N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide is O=C(NC1CC2CCC(C1)N2)c1ccc2nccnc2c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide?
The InChIKey is UMFMVKMEJXBJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-13-8-11-2-3-12(9-13)19-11)10-1-4-14-15(7-10)18-6-5-17-14/h1,4-7,11-13,19H,2-3,8-9H2,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.64, 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)quinoxaline-6-carboxamide is sourced from PubChem (CID 62876064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).