2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone

C18H20N2O — CID 116588254

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
SMILESO=C(CC1CC2CCC(C1)N2)c1cnc2ccccc2c1
InChIInChI=1S/C18H20N2O/c21-18(9-12-7-15-5-6-16(8-12)20-15)14-10-13-3-1-2-4-17(13)19-11-14/h1-4,10-12,15-16,20H,5-9H2
InChIKeyDXVQHNMYDARINI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone (PubChem CID 116588254) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
PubChem CID116588254
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
SMILESO=C(CC1CC2CCC(C1)N2)c1cnc2ccccc2c1
InChIInChI=1S/C18H20N2O/c21-18(9-12-7-15-5-6-16(8-12)20-15)14-10-13-3-1-2-4-17(13)19-11-14/h1-4,10-12,15-16,20H,5-9H2
InChIKeyDXVQHNMYDARINI-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-1-[6-(3-fluorophenyl)-3-pyridinyl]ethanone
CID 58549986
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
CID 116588289
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 116588327
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1-quinolin-3-yloctan-1-one
CID 114963108
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
cyclopentyl(quinolin-3-yl)methanone
CID 54861205

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone (CID 116588254) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone is O=C(CC1CC2CCC(C1)N2)c1cnc2ccccc2c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone?
The InChIKey is DXVQHNMYDARINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(9-12-7-15-5-6-16(8-12)20-15)14-10-13-3-1-2-4-17(13)19-11-14/h1-4,10-12,15-16,20H,5-9H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone has a molecular weight of 280.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone is sourced from PubChem (CID 116588254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).