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

C29H35N5O2 — CID 118242030

IUPAC1-[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
SMILESO=c1cncc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4C3CC4CCCC(C4)C3)c2=O)[nH]1
InChIInChI=1S/C29H35N5O2/c35-27-17-30-16-25(31-27)28-29(36)34(26-10-2-1-9-24(26)32-28)23-14-20-7-4-8-21(15-23)33(20)22-12-18-5-3-6-19(11-18)13-22/h1-2,9-10,16-23H,3-8,11-15H2,(H,31,35)
InChIKeyLVIDRWGGLVFDMI-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.67
Rot. Bonds3

About 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

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 (PubChem CID 118242030) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID118242030
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name1-[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
SMILESO=c1cncc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4C3CC4CCCC(C4)C3)c2=O)[nH]1
InChIInChI=1S/C29H35N5O2/c35-27-17-30-16-25(31-27)28-29(36)34(26-10-2-1-9-24(26)32-28)23-14-20-7-4-8-21(15-23)33(20)22-12-18-5-3-6-19(11-18)13-22/h1-2,9-10,16-23H,3-8,11-15H2,(H,31,35)
InChIKeyLVIDRWGGLVFDMI-UHFFFAOYSA-N
XLogP4.67
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1cncc(-c2nc3ccccc3n(C3CC4CCCC(C3)N4C3CC4CCCC(C4)C3)c2=O)[nH]1.
What is the InChIKey of 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?
The InChIKey is LVIDRWGGLVFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c35-27-17-30-16-25(31-27)28-29(36)34(26-10-2-1-9-24(26)32-28)23-14-20-7-4-8-21(15-23)33(20)22-12-18-5-3-6-19(11-18)13-22/h1-2,9-10,16-23H,3-8,11-15H2,(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 485.63 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118242030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).