1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane

C30H38N4O2 — CID 144564543

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane
SMILESC1CC2CCCC(C1)C2.O=c1cccc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4)c2=O)[nH]1
InChIInChI=1S/C21H22N4O2.C9H16/c26-19-10-4-8-17(23-19)20-21(27)25(18-9-2-1-7-16(18)24-20)15-11-13-5-3-6-14(12-15)22-13;1-3-8-5-2-6-9(4-1)7-8/h1-2,4,7-10,13-15,22H,3,5-6,11-12H2,(H,23,26);8-9H,1-7H2
InChIKeyJNIKTQMQVPXOTI-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.57
Rot. Bonds2

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane

1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane (PubChem CID 144564543) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane
PubChem CID144564543
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane
SMILESC1CC2CCCC(C1)C2.O=c1cccc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4)c2=O)[nH]1
InChIInChI=1S/C21H22N4O2.C9H16/c26-19-10-4-8-17(23-19)20-21(27)25(18-9-2-1-7-16(18)24-20)15-11-13-5-3-6-14(12-15)22-13;1-3-8-5-2-6-9(4-1)7-8/h1-2,4,7-10,13-15,22H,3,5-6,11-12H2,(H,23,26);8-9H,1-7H2
InChIKeyJNIKTQMQVPXOTI-UHFFFAOYSA-N
XLogP5.57
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane with MolForge

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Related Compounds

1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(6-oxo-1H-pyrazin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane;molecular hydrogen
CID 144564407
1-[8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one
CID 123165896
1-[(1R,5S)-9-[(3R,5S,7R)-1,7-dimethyl-3-bicyclo[3.2.1]octanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;molecular hydrogen
CID 144564483
4-(9-azabicyclo[3.3.1]nonan-3-yl)-N'-hydroxy-3-oxoquinoxaline-2-carboximidamide;bicyclo[3.3.1]nonane
CID 144657639
1-[9-(3-bicyclo[3.3.1]nonanyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(6-oxo-1H-pyrazin-2-yl)quinoxalin-2-one
CID 118242030
1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one
CID 144564284
1-(6-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-oxo-1H-pyrimidin-6-yl)quinoxalin-2-one
CID 144564539
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-one;(5S)-2-methylbicyclo[3.3.1]nonane
CID 144564439
(2Z)-2-(1-amino-3-methylbutan-2-yl)oxyimino-2-[4-(9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxalin-2-yl]acetic acid;bicyclo[3.3.1]nonane;formaldehyde
CID 144657737
ethyl 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450913
2-[3-[4-[(1R,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxalin-2-yl]-5-oxo-1H-1,2,4-triazol-4-yl]acetic acid
CID 118242069

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane (CID 144564543) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane is C1CC2CCCC(C1)C2.O=c1cccc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4)c2=O)[nH]1.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane?
The InChIKey is JNIKTQMQVPXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C9H16/c26-19-10-4-8-17(23-19)20-21(27)25(18-9-2-1-7-16(18)24-20)15-11-13-5-3-6-14(12-15)22-13;1-3-8-5-2-6-9(4-1)7-8/h1-2,4,7-10,13-15,22H,3,5-6,11-12H2,(H,23,26);8-9H,1-7H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane has a molecular weight of 486.66 g/mol, XLogP of 5.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(6-oxo-1H-pyridin-2-yl)quinoxalin-2-one;bicyclo[3.3.1]nonane is sourced from PubChem (CID 144564543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).