N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C25H30N4O2 — CID 90854834

IUPACN-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)Cc1cc(C)no1)c1ccnc2ccccc12
InChIInChI=1S/C25H30N4O2/c1-3-17-15-29-11-9-18(17)13-23(29)25(27-24(30)14-19-12-16(2)28-31-19)21-8-10-26-22-7-5-4-6-20(21)22/h4-8,10,12,17-18,23,25H,3,9,11,13-15H2,1-2H3,(H,27,30)/t17-,18-,23+,25+/m0/s1
InChIKeyHMXXIUXMRDORCI-WBEAWWQJSA-N
MW418.54 g/mol
LogP4.05
Rot. Bonds6

About N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 90854834) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID90854834
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)Cc1cc(C)no1)c1ccnc2ccccc12
InChIInChI=1S/C25H30N4O2/c1-3-17-15-29-11-9-18(17)13-23(29)25(27-24(30)14-19-12-16(2)28-31-19)21-8-10-26-22-7-5-4-6-20(21)22/h4-8,10,12,17-18,23,25H,3,9,11,13-15H2,1-2H3,(H,27,30)/t17-,18-,23+,25+/m0/s1
InChIKeyHMXXIUXMRDORCI-WBEAWWQJSA-N
XLogP4.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(R)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]acetamide
CID 58697141
N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]-2-phenylpropanamide
CID 21048944
N-[(R)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-1-phenylcyclopentane-1-carboxamide
CID 58697124
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 6914728
(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 682015
(S)-[(2R,4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 134840087
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride
CID 138319522
[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl] 2-phenylacetate
CID 21048927
N-[[(S)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]carbamothioyl]benzamide
CID 175679412
[(R)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] 2-naphthalen-2-ylacetate
CID 58697089
bis[(S)-[(2R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 134855537
bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] (15S,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 11445834

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 90854834) is N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=O)Cc1cc(C)no1)c1ccnc2ccccc12.
What is the InChIKey of N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is HMXXIUXMRDORCI-WBEAWWQJSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-17-15-29-11-9-18(17)13-23(29)25(27-24(30)14-19-12-16(2)28-31-19)21-8-10-26-22-7-5-4-6-20(21)22/h4-8,10,12,17-18,23,25H,3,9,11,13-15H2,1-2H3,(H,27,30)/t17-,18-,23+,25+/m0/s1.
What are the key properties of N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 90854834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).