1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one

C16H15N3O — CID 43509212

IUPAC1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one
SMILESCc1c(N)cccc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C16H15N3O/c1-11-12(5-4-6-13(11)17)10-19-15-8-3-2-7-14(15)18-9-16(19)20/h2-9H,10,17H2,1H3
InChIKeyGQFBQYFJIMRDSQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.34
Rot. Bonds2

About 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one

1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one (PubChem CID 43509212) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one
PubChem CID43509212
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one
SMILESCc1c(N)cccc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C16H15N3O/c1-11-12(5-4-6-13(11)17)10-19-15-8-3-2-7-14(15)18-9-16(19)20/h2-9H,10,17H2,1H3
InChIKeyGQFBQYFJIMRDSQ-UHFFFAOYSA-N
XLogP2.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
CID 43349699
1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
CID 72923084
1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
CID 62893313
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379
5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
CID 80724661
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
3-(indazol-1-ylmethyl)-2-methylaniline
CID 62141477
2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid
CID 43477306

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one (CID 43509212) is 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one is Cc1c(N)cccc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one?
The InChIKey is GQFBQYFJIMRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-12(5-4-6-13(11)17)10-19-15-8-3-2-7-14(15)18-9-16(19)20/h2-9H,10,17H2,1H3.
What are the key properties of 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one?
1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 43509212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).