tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

C24H30N2O3 — CID 171948622

IUPACtert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)Cc1cccc3cccnc13)C2
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-19-10-5-11-20(26)14-18(13-19)21(27)15-17-8-4-7-16-9-6-12-25-22(16)17/h4,6-9,12,18-20H,5,10-11,13-15H2,1-3H3
InChIKeyGENKRUZWBUDKGW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171948622) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171948622
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nametert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)Cc1cccc3cccnc13)C2
InChIInChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-19-10-5-11-20(26)14-18(13-19)21(27)15-17-8-4-7-16-9-6-12-25-22(16)17/h4,6-9,12,18-20H,5,10-11,13-15H2,1-3H3
InChIKeyGENKRUZWBUDKGW-UHFFFAOYSA-N
XLogP4.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[2-(4-tert-butylphenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949722
tert-butyl 3-(2-methylpyridine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950392
tert-butyl 3-[2-(4-fluorophenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945103
tert-butyl 3-hydroxy-3-(8-methylquinolin-7-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171962752
benzyl 7-(2-quinolin-8-ylacetyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171948633
tert-butyl 3-(2-naphthalen-2-ylacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948961
tert-butyl 3-[2-(2,3,6-trifluorophenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941448
tert-butyl 3-(4-methylpent-3-enoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938632
tert-butyl 3-(3-cyanopyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944030
tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171942050
tert-butyl 3-[2-(1,3-dioxolan-2-yl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937686
tert-butyl 3-(5-methylhex-4-enoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937929

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171948622) is tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)Cc1cccc3cccnc13)C2.
What is the InChIKey of tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is GENKRUZWBUDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)29-23(28)26-19-10-5-11-20(26)14-18(13-19)21(27)15-17-8-4-7-16-9-6-12-25-22(16)17/h4,6-9,12,18-20H,5,10-11,13-15H2,1-3H3.
What are the key properties of tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-quinolin-8-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171948622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).