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

C16H16FN3O — CID 28822199

IUPAC4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one
SMILESNCc1ccc(CN2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C16H16FN3O/c17-13-7-11(8-18)5-6-12(13)9-20-10-16(21)19-14-3-1-2-4-15(14)20/h1-7H,8-10,18H2,(H,19,21)
InChIKeyIUSXZYZMNKYKIM-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.24
Rot. Bonds3

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

4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 28822199) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one
PubChem CID28822199
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one
SMILESNCc1ccc(CN2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C16H16FN3O/c17-13-7-11(8-18)5-6-12(13)9-20-10-16(21)19-14-3-1-2-4-15(14)20/h1-7H,8-10,18H2,(H,19,21)
InChIKeyIUSXZYZMNKYKIM-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 28822230
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936119
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepane-2,7-dione
CID 43447534
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione
CID 43382586
4-[(2,4-difluorophenyl)methylsulfonyl]-1,3-dihydroquinoxalin-2-one
CID 86799240

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one (CID 28822199) is 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one is NCc1ccc(CN2CC(=O)Nc3ccccc32)c(F)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IUSXZYZMNKYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-7-11(8-18)5-6-12(13)9-20-10-16(21)19-14-3-1-2-4-15(14)20/h1-7H,8-10,18H2,(H,19,21).
What are the key properties of 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one?
4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 28822199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).