cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

C18H26N3O2+ — CID 9265031

IUPACcyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESO=C1CN(C(=O)C[NH2+]C2CCCCCCC2)c2ccccc2N1
InChIInChI=1S/C18H25N3O2/c22-17-13-21(16-11-7-6-10-15(16)20-17)18(23)12-19-14-8-4-2-1-3-5-9-14/h6-7,10-11,14,19H,1-5,8-9,12-13H2,(H,20,22)/p+1
InChIKeyZPDUFOJRURRWCG-UHFFFAOYSA-O
MW316.42 g/mol
LogP1.65
Rot. Bonds3

About cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (PubChem CID 9265031) has the molecular formula C18H26N3O2+ and a molecular weight of 316.42 g/mol. Its IUPAC name is cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
PubChem CID9265031
Molecular FormulaC18H26N3O2+
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Namecyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESO=C1CN(C(=O)C[NH2+]C2CCCCCCC2)c2ccccc2N1
InChIInChI=1S/C18H25N3O2/c22-17-13-21(16-11-7-6-10-15(16)20-17)18(23)12-19-14-8-4-2-1-3-5-9-14/h6-7,10-11,14,19H,1-5,8-9,12-13H2,(H,20,22)/p+1
InChIKeyZPDUFOJRURRWCG-UHFFFAOYSA-O
XLogP1.65
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 7666372
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
N-[(1R,2R)-2-tert-butylcyclohexyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 39635856
N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 47015502
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The IUPAC name of cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (CID 9265031) is cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The canonical SMILES for cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is O=C1CN(C(=O)C[NH2+]C2CCCCCCC2)c2ccccc2N1.
What is the InChIKey of cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The InChIKey is ZPDUFOJRURRWCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O2/c22-17-13-21(16-11-7-6-10-15(16)20-17)18(23)12-19-14-8-4-2-1-3-5-9-14/h6-7,10-11,14,19H,1-5,8-9,12-13H2,(H,20,22)/p+1.
What are the key properties of cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium has a molecular weight of 316.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is sourced from PubChem (CID 9265031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).