N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide

C17H19N3O — CID 81485515

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccnc2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(20-13-9-11-5-6-12(10-13)19-11)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,20,21)
InChIKeyDAUONVIMCWQXSE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide (PubChem CID 81485515) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
PubChem CID81485515
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccnc2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(20-13-9-11-5-6-12(10-13)19-11)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,20,21)
InChIKeyDAUONVIMCWQXSE-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
CID 172895594
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
CID 119458232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide (CID 81485515) is N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide is O=C(NC1CC2CCC(C1)N2)c1ccnc2ccccc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide?
The InChIKey is DAUONVIMCWQXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-13-9-11-5-6-12(10-13)19-11)15-7-8-18-16-4-2-1-3-14(15)16/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 81485515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).