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

C16H21N3O — CID 86774445

IUPAC3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCN(Cc1nc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C16H21N3O/c1-19(12-7-3-2-4-8-12)11-15-16(20)18-14-10-6-5-9-13(14)17-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyYLEKWOYIWOBYSN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds3

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

3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one (PubChem CID 86774445) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
PubChem CID86774445
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
SMILESCN(Cc1nc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C16H21N3O/c1-19(12-7-3-2-4-8-12)11-15-16(20)18-14-10-6-5-9-13(14)17-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)
InChIKeyYLEKWOYIWOBYSN-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one (CID 86774445) is 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one is CN(Cc1nc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
The InChIKey is YLEKWOYIWOBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(12-7-3-2-4-8-12)11-15-16(20)18-14-10-6-5-9-13(14)17-15/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20).
What are the key properties of 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one?
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 86774445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).