(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

C20H24N3O3+ — CID 8805466

IUPAC(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-14-8-9-18(26-3)15(10-14)11-22(2)13-20(25)23-12-19(24)21-16-6-4-5-7-17(16)23/h4-10H,11-13H2,1-3H3,(H,21,24)/p+1
InChIKeyGJYRZPKAPYOMRP-UHFFFAOYSA-O
MW354.43 g/mol
LogP1.00
Rot. Bonds5

About (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (PubChem CID 8805466) has the molecular formula C20H24N3O3+ and a molecular weight of 354.43 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
PubChem CID8805466
Molecular FormulaC20H24N3O3+
Molecular Weight354.43 g/mol
Exact Mass354.18
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH+](C)CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-14-8-9-18(26-3)15(10-14)11-22(2)13-20(25)23-12-19(24)21-16-6-4-5-7-17(16)23/h4-10H,11-13H2,1-3H3,(H,21,24)/p+1
InChIKeyGJYRZPKAPYOMRP-UHFFFAOYSA-O
XLogP1.00
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (CID 8805466) is (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is COc1ccc(C)cc1C[NH+](C)CC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The InChIKey is GJYRZPKAPYOMRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-9-18(26-3)15(10-14)11-22(2)13-20(25)23-12-19(24)21-16-6-4-5-7-17(16)23/h4-10H,11-13H2,1-3H3,(H,21,24)/p+1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium has a molecular weight of 354.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is sourced from PubChem (CID 8805466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).