1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone

C17H19N3O — CID 127041508

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCN2CCC1CC2
InChIInChI=1S/C17H19N3O/c21-17(20-11-10-19-8-5-15(20)6-9-19)14-3-4-16-13(12-14)2-1-7-18-16/h1-4,7,12,15H,5-6,8-11H2
InChIKeyDHIPLVZUPFZEKD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds1

About 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone (PubChem CID 127041508) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
PubChem CID127041508
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCN2CCC1CC2
InChIInChI=1S/C17H19N3O/c21-17(20-11-10-19-8-5-15(20)6-9-19)14-3-4-16-13(12-14)2-1-7-18-16/h1-4,7,12,15H,5-6,8-11H2
InChIKeyDHIPLVZUPFZEKD-UHFFFAOYSA-N
XLogP2.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131644255
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
ethane;quinoline-6-carboxylic acid
CID 91364452
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone (CID 127041508) is 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone is O=C(c1ccc2ncccc2c1)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone?
The InChIKey is DHIPLVZUPFZEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-11-10-19-8-5-15(20)6-9-19)14-3-4-16-13(12-14)2-1-7-18-16/h1-4,7,12,15H,5-6,8-11H2.
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone is sourced from PubChem (CID 127041508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).