8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone

C17H18N2O — CID 171941830

IUPAC8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
SMILESO=C(c1cccc2ccncc12)C1CC2CCC(C1)N2
InChIInChI=1S/C17H18N2O/c20-17(12-8-13-4-5-14(9-12)19-13)15-3-1-2-11-6-7-18-10-16(11)15/h1-3,6-7,10,12-14,19H,4-5,8-9H2
InChIKeyVQAUCUFYYOIBNJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.95
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone (PubChem CID 171941830) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
PubChem CID171941830
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
SMILESO=C(c1cccc2ccncc12)C1CC2CCC(C1)N2
InChIInChI=1S/C17H18N2O/c20-17(12-8-13-4-5-14(9-12)19-13)15-3-1-2-11-6-7-18-10-16(11)15/h1-3,6-7,10,12-14,19H,4-5,8-9H2
InChIKeyVQAUCUFYYOIBNJ-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone 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

cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
isoquinoline-8-carboxylate
CID 86306452
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939049
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
CID 103133386
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone (CID 171941830) is 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone is O=C(c1cccc2ccncc12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone?
The InChIKey is VQAUCUFYYOIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(12-8-13-4-5-14(9-12)19-13)15-3-1-2-11-6-7-18-10-16(11)15/h1-3,6-7,10,12-14,19H,4-5,8-9H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone is sourced from PubChem (CID 171941830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).