N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide

C21H21N3OS — CID 10155631

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc3cccnc23)s1
InChIInChI=1S/C21H21N3OS/c25-21(23-17-13-24-11-8-14(17)9-12-24)19-7-6-18(26-19)16-5-1-3-15-4-2-10-22-20(15)16/h1-7,10,14,17H,8-9,11-13H2,(H,23,25)
InChIKeyYDOOADJCFORQJS-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.79
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide (PubChem CID 10155631) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
PubChem CID10155631
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2cccc3cccnc23)s1
InChIInChI=1S/C21H21N3OS/c25-21(23-17-13-24-11-8-14(17)9-12-24)19-7-6-18(26-19)16-5-1-3-15-4-2-10-22-20(15)16/h1-7,10,14,17H,8-9,11-13H2,(H,23,25)
InChIKeyYDOOADJCFORQJS-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-nitrophenyl)thiophene-2-carboxamide
CID 18180632
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1H-imidazol-5-yl)thiophene-2-carboxamide
CID 18181434
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(6-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 18181776
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
CID 22350872

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide (CID 10155631) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2cccc3cccnc23)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide?
The InChIKey is YDOOADJCFORQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-21(23-17-13-24-11-8-14(17)9-12-24)19-7-6-18(26-19)16-5-1-3-15-4-2-10-22-20(15)16/h1-7,10,14,17H,8-9,11-13H2,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-8-ylthiophene-2-carboxamide is sourced from PubChem (CID 10155631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).