N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide

C17H19N3O — CID 69380368

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cccc2cccnc12
InChIInChI=1S/C17H19N3O/c21-17(19-15-11-20-9-6-12(15)7-10-20)14-5-1-3-13-4-2-8-18-16(13)14/h1-5,8,12,15H,6-7,9-11H2,(H,19,21)/t15-/m0/s1
InChIKeyMCDTVZXOPLFCOT-HNNXBMFYSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide (PubChem CID 69380368) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
PubChem CID69380368
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cccc2cccnc12
InChIInChI=1S/C17H19N3O/c21-17(19-15-11-20-9-6-12(15)7-10-20)14-5-1-3-13-4-2-8-18-16(13)14/h1-5,8,12,15H,6-7,9-11H2,(H,19,21)/t15-/m0/s1
InChIKeyMCDTVZXOPLFCOT-HNNXBMFYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
CID 10155631
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
N-(2-aminocyclopropyl)quinoline-8-carboxamide
CID 62875389
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-1,3-benzoxazole-4-carboxamide
CID 24853406
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-sulfamoylanilino)quinazoline-8-carboxamide
CID 67102077
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-yl-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66873979
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
2-(4-aminophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 11552277
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(oxan-4-yl)-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 68998556
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide (CID 69380368) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cccc2cccnc12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide?
The InChIKey is MCDTVZXOPLFCOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-15-11-20-9-6-12(15)7-10-20)14-5-1-3-13-4-2-8-18-16(13)14/h1-5,8,12,15H,6-7,9-11H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 69380368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).