3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine

C15H19N3O — CID 62350855

IUPAC3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1CCOCC1
InChIInChI=1S/C15H19N3O/c1-11-15(16-10-12-6-8-19-9-7-12)18-14-5-3-2-4-13(14)17-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyJLYHRFXQQUDKHM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.78
Rot. Bonds3

About 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine

3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine (PubChem CID 62350855) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
PubChem CID62350855
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1CCOCC1
InChIInChI=1S/C15H19N3O/c1-11-15(16-10-12-6-8-19-9-7-12)18-14-5-3-2-4-13(14)17-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyJLYHRFXQQUDKHM-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine (CID 62350855) is 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC1CCOCC1.
What is the InChIKey of 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine?
The InChIKey is JLYHRFXQQUDKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-15(16-10-12-6-8-19-9-7-12)18-14-5-3-2-4-13(14)17-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine?
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine is sourced from PubChem (CID 62350855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).