3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone

C16H18N4O — CID 104615547

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
SMILESO=C(c1cccc2nccnc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H18N4O/c21-16(20-9-6-11-4-5-12(10-20)19-11)13-2-1-3-14-15(13)18-8-7-17-14/h1-3,7-8,11-12,19H,4-6,9-10H2
InChIKeyQVHOJAFSRSGSOL-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.60
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone (PubChem CID 104615547) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
PubChem CID104615547
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
SMILESO=C(c1cccc2nccnc12)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H18N4O/c21-16(20-9-6-11-4-5-12(10-20)19-11)13-2-1-3-14-15(13)18-8-7-17-14/h1-3,7-8,11-12,19H,4-6,9-10H2
InChIKeyQVHOJAFSRSGSOL-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-nitrophenyl)methanone
CID 81485768

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone (CID 104615547) is 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone is O=C(c1cccc2nccnc12)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone?
The InChIKey is QVHOJAFSRSGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-9-6-11-4-5-12(10-20)19-11)13-2-1-3-14-15(13)18-8-7-17-14/h1-3,7-8,11-12,19H,4-6,9-10H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone is sourced from PubChem (CID 104615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).