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

C20H26N3O2+ — CID 7666372

IUPAC1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESO=C1CN(C(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc2N1
InChIInChI=1S/C20H25N3O2/c24-18-12-23(17-4-2-1-3-16(17)22-18)19(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,21H,5-12H2,(H,22,24)/p+1
InChIKeyJUBMZLVRGTYCNR-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.50
Rot. Bonds3

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

1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (PubChem CID 7666372) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
PubChem CID7666372
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESO=C1CN(C(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc2N1
InChIInChI=1S/C20H25N3O2/c24-18-12-23(17-4-2-1-3-16(17)22-18)19(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,21H,5-12H2,(H,22,24)/p+1
InChIKeyJUBMZLVRGTYCNR-UHFFFAOYSA-O
XLogP1.50
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 41447992
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
2-[1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)azetidin-3-yl]acetic acid
CID 64618803
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The IUPAC name of 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (CID 7666372) is 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.
What is the SMILES notation for 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The canonical SMILES for 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is O=C1CN(C(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc2N1.
What is the InChIKey of 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The InChIKey is JUBMZLVRGTYCNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c24-18-12-23(17-4-2-1-3-16(17)22-18)19(25)11-21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,21H,5-12H2,(H,22,24)/p+1.
What are the key properties of 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is sourced from PubChem (CID 7666372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).