4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

C17H17N3O2 — CID 69226926

IUPAC4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCNCc1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-18-10-12-6-2-3-7-13(12)17(22)20-11-16(21)19-14-8-4-5-9-15(14)20/h2-9,18H,10-11H2,1H3,(H,19,21)
InChIKeyDGLSDGBZBAIKSY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.00
Rot. Bonds3

About 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 69226926) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID69226926
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCNCc1ccccc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-18-10-12-6-2-3-7-13(12)17(22)20-11-16(21)19-14-8-4-5-9-15(14)20/h2-9,18H,10-11H2,1H3,(H,19,21)
InChIKeyDGLSDGBZBAIKSY-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
4-[4-(methylamino)pyridine-2-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 62170717
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-[2-[(2-methoxyphenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2403769

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 69226926) is 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is CNCc1ccccc1C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DGLSDGBZBAIKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-18-10-12-6-2-3-7-13(12)17(22)20-11-16(21)19-14-8-4-5-9-15(14)20/h2-9,18H,10-11H2,1H3,(H,19,21).
What are the key properties of 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 69226926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).