7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride

C10H16Cl2N2O — CID 155822400

IUPAC7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride
SMILESCOc1ccc2c(c1)NCCN2C.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-12-6-5-11-9-7-8(13-2)3-4-10(9)12;;/h3-4,7,11H,5-6H2,1-2H3;2*1H
InChIKeyYEYFIDIXIVWDSW-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.40
Rot. Bonds1

About 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride

7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride (PubChem CID 155822400) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride.

Molecular Properties

Compound Name7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride
PubChem CID155822400
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride
SMILESCOc1ccc2c(c1)NCCN2C.Cl.Cl
InChIInChI=1S/C10H14N2O.2ClH/c1-12-6-5-11-9-7-8(13-2)3-4-10(9)12;;/h3-4,7,11H,5-6H2,1-2H3;2*1H
InChIKeyYEYFIDIXIVWDSW-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride?
The IUPAC name of 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride (CID 155822400) is 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride.
What is the SMILES notation for 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride?
The canonical SMILES for 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride is COc1ccc2c(c1)NCCN2C.Cl.Cl.
What is the InChIKey of 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride?
The InChIKey is YEYFIDIXIVWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c1-12-6-5-11-9-7-8(13-2)3-4-10(9)12;;/h3-4,7,11H,5-6H2,1-2H3;2*1H.
What are the key properties of 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride?
7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline;dihydrochloride is sourced from PubChem (CID 155822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).