4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

C17H20N2O — CID 62160462

IUPAC4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc(C)cc1CN1CCNc2ccccc21
InChIInChI=1S/C17H20N2O/c1-13-7-8-17(20-2)14(11-13)12-19-10-9-18-15-5-3-4-6-16(15)19/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyHQUFNPHARDWDRY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.44
Rot. Bonds3

About 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline

4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 62160462) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
PubChem CID62160462
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc(C)cc1CN1CCNc2ccccc21
InChIInChI=1S/C17H20N2O/c1-13-7-8-17(20-2)14(11-13)12-19-10-9-18-15-5-3-4-6-16(15)19/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyHQUFNPHARDWDRY-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
1-[(5-fluoro-2-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101496
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
5-[(2-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 102877852
1-[(5-amino-2-methoxyphenyl)methyl]imidazolidin-2-one
CID 61014700
1-[(2-methoxy-5-methylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258780
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 79015275
5-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 114346603
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline (CID 62160462) is 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is COc1ccc(C)cc1CN1CCNc2ccccc21.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is HQUFNPHARDWDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-7-8-17(20-2)14(11-13)12-19-10-9-18-15-5-3-4-6-16(15)19/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline?
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 268.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 62160462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).