8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one

C16H16N2O — CID 62738405

IUPAC8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2ncccc2c1
InChIInChI=1S/C16H16N2O/c19-15-9-13-3-4-14(10-15)18(13)12-5-6-16-11(8-12)2-1-7-17-16/h1-2,5-8,13-14H,3-4,9-10H2
InChIKeyJUPZMENBJGWKGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds1

About 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one

8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62738405) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62738405
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2ncccc2c1
InChIInChI=1S/C16H16N2O/c19-15-9-13-3-4-14(10-15)18(13)12-5-6-16-11(8-12)2-1-7-17-16/h1-2,5-8,13-14H,3-4,9-10H2
InChIKeyJUPZMENBJGWKGL-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one 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

8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one
CID 21290649
8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 81267160
2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922941
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739931
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713577
4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91307807
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
4-(quinolin-6-ylmethyl)cyclohexan-1-one
CID 116997362
(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 91307978
1-quinolin-6-yl-2-sulfanylidenepyrimidin-4-one
CID 62635297

Frequently Asked Questions

What is the IUPAC name of 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one (CID 62738405) is 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2c1ccc2ncccc2c1.
What is the InChIKey of 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is JUPZMENBJGWKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15-9-13-3-4-14(10-15)18(13)12-5-6-16-11(8-12)2-1-7-17-16/h1-2,5-8,13-14H,3-4,9-10H2.
What are the key properties of 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one?
8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 252.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62738405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).