4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one

C15H15N3O — CID 28822188

IUPAC4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESNc1ccc(CN2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H15N3O/c16-12-7-5-11(6-8-12)9-18-10-15(19)17-13-3-1-2-4-14(13)18/h1-8H,9-10,16H2,(H,17,19)
InChIKeyWSOGABBCYDFDSJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.23
Rot. Bonds2

About 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one

4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 28822188) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
PubChem CID28822188
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESNc1ccc(CN2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H15N3O/c16-12-7-5-11(6-8-12)9-18-10-15(19)17-13-3-1-2-4-14(13)18/h1-8H,9-10,16H2,(H,17,19)
InChIKeyWSOGABBCYDFDSJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one
CID 28822199
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
CID 79772293
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 164652934
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one (CID 28822188) is 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one is Nc1ccc(CN2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WSOGABBCYDFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-12-7-5-11(6-8-12)9-18-10-15(19)17-13-3-1-2-4-14(13)18/h1-8H,9-10,16H2,(H,17,19).
What are the key properties of 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one?
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 28822188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).