1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one

C16H14FN3O — CID 64765379

IUPAC1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
SMILESNCc1ccc(F)cc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C16H14FN3O/c17-13-6-5-11(8-18)12(7-13)10-20-15-4-2-1-3-14(15)19-9-16(20)21/h1-7,9H,8,10,18H2
InChIKeyOBCTXCSURSFMSQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.04
Rot. Bonds3

About 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one

1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one (PubChem CID 64765379) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
PubChem CID64765379
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
SMILESNCc1ccc(F)cc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C16H14FN3O/c17-13-6-5-11(8-18)12(7-13)10-20-15-4-2-1-3-14(15)19-9-16(20)21/h1-7,9H,8,10,18H2
InChIKeyOBCTXCSURSFMSQ-UHFFFAOYSA-N
XLogP2.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one (CID 64765379) is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one is NCc1ccc(F)cc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one?
The InChIKey is OBCTXCSURSFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-6-5-11(8-18)12(7-13)10-20-15-4-2-1-3-14(15)19-9-16(20)21/h1-7,9H,8,10,18H2.
What are the key properties of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one?
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one has a molecular weight of 283.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 64765379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).