N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine

C14H13N3O — CID 163684173

IUPACN-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine
SMILESCNOc1nc2c(ccc3ccccc32)nc1C
InChIInChI=1S/C14H13N3O/c1-9-14(18-15-2)17-13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8,15H,1-2H3
InChIKeyJNKFXDCIJLXOAK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.60
Rot. Bonds2

About N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine

N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine (PubChem CID 163684173) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine.

Molecular Properties

Compound NameN-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine
PubChem CID163684173
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine
SMILESCNOc1nc2c(ccc3ccccc32)nc1C
InChIInChI=1S/C14H13N3O/c1-9-14(18-15-2)17-13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8,15H,1-2H3
InChIKeyJNKFXDCIJLXOAK-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine?
The IUPAC name of N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine (CID 163684173) is N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine.
What is the SMILES notation for N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine?
The canonical SMILES for N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine is CNOc1nc2c(ccc3ccccc32)nc1C.
What is the InChIKey of N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine?
The InChIKey is JNKFXDCIJLXOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-14(18-15-2)17-13-11-6-4-3-5-10(11)7-8-12(13)16-9/h3-8,15H,1-2H3.
What are the key properties of N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine?
N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzo[h]quinoxalin-2-yl)oxymethanamine is sourced from PubChem (CID 163684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).