4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one

C18H19N3O3 — CID 2403769

IUPAC4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccccc1CNCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)10-19-11-18(23)21-12-17(22)20-14-7-3-4-8-15(14)21/h2-9,19H,10-12H2,1H3,(H,20,22)
InChIKeyLHURARBORBURQU-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.77
Rot. Bonds5

About 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2403769) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2403769
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccccc1CNCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)10-19-11-18(23)21-12-17(22)20-14-7-3-4-8-15(14)21/h2-9,19H,10-12H2,1H3,(H,20,22)
InChIKeyLHURARBORBURQU-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8885998
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
4-[2-(2-phenoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one
CID 9327531
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8805466
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3902357
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 2403769) is 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one is COc1ccccc1CNCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is LHURARBORBURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)10-19-11-18(23)21-12-17(22)20-14-7-3-4-8-15(14)21/h2-9,19H,10-12H2,1H3,(H,20,22).
What are the key properties of 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2403769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).