1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one

C15H14N4O — CID 62893313

IUPAC1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
SMILESNCc1ncccc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H14N4O/c16-8-13-11(4-3-7-17-13)10-19-14-6-2-1-5-12(14)18-9-15(19)20/h1-7,9H,8,10,16H2
InChIKeyNXIHYFDSFXTOGT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.30
Rot. Bonds3

About 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one

1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one (PubChem CID 62893313) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
PubChem CID62893313
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
SMILESNCc1ncccc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H14N4O/c16-8-13-11(4-3-7-17-13)10-19-14-6-2-1-5-12(14)18-9-15(19)20/h1-7,9H,8,10,16H2
InChIKeyNXIHYFDSFXTOGT-UHFFFAOYSA-N
XLogP1.30
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one (CID 62893313) is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one is NCc1ncccc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one?
The InChIKey is NXIHYFDSFXTOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-13-11(4-3-7-17-13)10-19-14-6-2-1-5-12(14)18-9-15(19)20/h1-7,9H,8,10,16H2.
What are the key properties of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one?
1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 62893313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).