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

C19H22N3O2+ — CID 8533354

IUPACbenzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-2-21(12-15-8-4-3-5-9-15)14-19(24)22-13-18(23)20-16-10-6-7-11-17(16)22/h3-11H,2,12-14H2,1H3,(H,20,23)/p+1
InChIKeyMSCZSJBDQGWRME-UHFFFAOYSA-O
MW324.40 g/mol
LogP1.08
Rot. Bonds5

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

benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (PubChem CID 8533354) has the molecular formula C19H22N3O2+ and a molecular weight of 324.40 g/mol. Its IUPAC name is benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
PubChem CID8533354
Molecular FormulaC19H22N3O2+
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC Namebenzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-2-21(12-15-8-4-3-5-9-15)14-19(24)22-13-18(23)20-16-10-6-7-11-17(16)22/h3-11H,2,12-14H2,1H3,(H,20,23)/p+1
InChIKeyMSCZSJBDQGWRME-UHFFFAOYSA-O
XLogP1.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9349297
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 136562469
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (CID 8533354) is benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is CC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The InChIKey is MSCZSJBDQGWRME-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O2/c1-2-21(12-15-8-4-3-5-9-15)14-19(24)22-13-18(23)20-16-10-6-7-11-17(16)22/h3-11H,2,12-14H2,1H3,(H,20,23)/p+1.
What are the key properties of benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium has a molecular weight of 324.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is sourced from PubChem (CID 8533354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).