N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide

C17H19N3O — CID 10192961

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1
InChIKeyNXZABBDOBVXZPT-INIZCTEOSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide (PubChem CID 10192961) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide
PubChem CID10192961
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1
InChIInChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1
InChIKeyNXZABBDOBVXZPT-INIZCTEOSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide (CID 10192961) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide?
The InChIKey is NXZABBDOBVXZPT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 10192961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).