N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide

C18H21N3O — CID 58932940

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CN4CCC3CC4)ccc2n1
InChIInChI=1S/C18H21N3O/c1-12-2-3-14-10-15(4-5-16(14)19-12)18(22)20-17-11-21-8-6-13(17)7-9-21/h2-5,10,13,17H,6-9,11H2,1H3,(H,20,22)
InChIKeyWVEZPTZCDFGSQO-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.37
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide (PubChem CID 58932940) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
PubChem CID58932940
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CN4CCC3CC4)ccc2n1
InChIInChI=1S/C18H21N3O/c1-12-2-3-14-10-15(4-5-16(14)19-12)18(22)20-17-11-21-8-6-13(17)7-9-21/h2-5,10,13,17H,6-9,11H2,1H3,(H,20,22)
InChIKeyWVEZPTZCDFGSQO-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-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

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-benzofuran-6-carboxamide
CID 22481785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1-benzofuran-6-carboxamide
CID 10356529
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 10149424
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide (CID 58932940) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide is Cc1ccc2cc(C(=O)NC3CN4CCC3CC4)ccc2n1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide?
The InChIKey is WVEZPTZCDFGSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-2-3-14-10-15(4-5-16(14)19-12)18(22)20-17-11-21-8-6-13(17)7-9-21/h2-5,10,13,17H,6-9,11H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 58932940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).