1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone

C16H17N3O — CID 127041506

IUPAC1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCN2CCC1C2
InChIInChI=1S/C16H17N3O/c20-16(19-9-8-18-7-5-14(19)11-18)13-3-4-15-12(10-13)2-1-6-17-15/h1-4,6,10,14H,5,7-9,11H2
InChIKeyRBRIMPSGXOYPKW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds1

About 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone

1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone (PubChem CID 127041506) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
PubChem CID127041506
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)N1CCN2CCC1C2
InChIInChI=1S/C16H17N3O/c20-16(19-9-8-18-7-5-14(19)11-18)13-3-4-15-12(10-13)2-1-6-17-15/h1-4,6,10,14H,5,7-9,11H2
InChIKeyRBRIMPSGXOYPKW-UHFFFAOYSA-N
XLogP1.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
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
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
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
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
CID 66208799
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone (CID 127041506) is 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone is O=C(c1ccc2ncccc2c1)N1CCN2CCC1C2.
What is the InChIKey of 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone?
The InChIKey is RBRIMPSGXOYPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-9-8-18-7-5-14(19)11-18)13-3-4-15-12(10-13)2-1-6-17-15/h1-4,6,10,14H,5,7-9,11H2.
What are the key properties of 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone?
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone is sourced from PubChem (CID 127041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).