tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C22H26N2O3 — CID 171942050

IUPACtert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-17-7-8-18(24)13-16(12-17)20(25)15-6-9-19-14(11-15)5-4-10-23-19/h4-6,9-11,16-18H,7-8,12-13H2,1-3H3
InChIKeyLRTCYUSBAMLRKC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.60
Rot. Bonds2

About tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171942050) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171942050
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-17-7-8-18(24)13-16(12-17)20(25)15-6-9-19-14(11-15)5-4-10-23-19/h4-6,9-11,16-18H,7-8,12-13H2,1-3H3
InChIKeyLRTCYUSBAMLRKC-UHFFFAOYSA-N
XLogP4.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(3-methoxypyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171943496
tert-butyl 3-(3-cyanopyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944030
tert-butyl 3-(2-methylpyridine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950392
tert-butyl 3-[4-(1,2-oxazol-5-yl)benzoyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948511
tert-butyl 3-[4-(trifluoromethoxy)benzoyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171949186
tert-butyl 3-(4-cyano-3-methoxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939735
tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
CID 102544437
tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945512
tert-butyl 3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945637
tert-butyl 3-(2,6-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941064
tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171948622
tert-butyl 3-(4-methylpyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171942050) is tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is LRTCYUSBAMLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-17-7-8-18(24)13-16(12-17)20(25)15-6-9-19-14(11-15)5-4-10-23-19/h4-6,9-11,16-18H,7-8,12-13H2,1-3H3.
What are the key properties of tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171942050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).