4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one

C16H17N3O2 — CID 81145854

IUPAC4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(N)cc(CN2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c1-21-13-7-11(6-12(17)8-13)9-19-10-16(20)18-14-4-2-3-5-15(14)19/h2-8H,9-10,17H2,1H3,(H,18,20)
InChIKeyKFDAMDRTGFHHHW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds3

About 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one

4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 81145854) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
PubChem CID81145854
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1cc(N)cc(CN2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c1-21-13-7-11(6-12(17)8-13)9-19-10-16(20)18-14-4-2-3-5-15(14)19/h2-8H,9-10,17H2,1H3,(H,18,20)
InChIKeyKFDAMDRTGFHHHW-UHFFFAOYSA-N
XLogP2.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
CID 80726419
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 81150887
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822
4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one
CID 28822199
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 81149958
3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 81149806
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 81146115
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
CID 79772293
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one (CID 81145854) is 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one is COc1cc(N)cc(CN2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is KFDAMDRTGFHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-13-7-11(6-12(17)8-13)9-19-10-16(20)18-14-4-2-3-5-15(14)19/h2-8H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 81145854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).