N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H23N3O — CID 62214906

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3O/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/h1,3,5,12,15,18H,2,4,6-11H2,(H,19,21)
InChIKeyRGGZCOGSDPLHQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.87
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62214906) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62214906
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3O/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/h1,3,5,12,15,18H,2,4,6-11H2,(H,19,21)
InChIKeyRGGZCOGSDPLHQO-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide
CID 67877100
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125157866
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 163334228
2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91768212
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide
CID 139637782

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62214906) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is O=C(NC1CN2CCC1CC2)c1cccc2c1NCCC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is RGGZCOGSDPLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/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/h1,3,5,12,15,18H,2,4,6-11H2,(H,19,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62214906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).