8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile

C17H13N3O — CID 71100257

IUPAC8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
SMILESCOc1cc(C)cc(-c2ccc(C#N)c3nccnc23)c1
InChIInChI=1S/C17H13N3O/c1-11-7-13(9-14(8-11)21-2)15-4-3-12(10-18)16-17(15)20-6-5-19-16/h3-9H,1-2H3
InChIKeyACIKOUULJUBKGZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.49
Rot. Bonds2

About 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile

8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile (PubChem CID 71100257) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
PubChem CID71100257
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
SMILESCOc1cc(C)cc(-c2ccc(C#N)c3nccnc23)c1
InChIInChI=1S/C17H13N3O/c1-11-7-13(9-14(8-11)21-2)15-4-3-12(10-18)16-17(15)20-6-5-19-16/h3-9H,1-2H3
InChIKeyACIKOUULJUBKGZ-UHFFFAOYSA-N
XLogP3.49
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile?
The IUPAC name of 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile (CID 71100257) is 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile?
The canonical SMILES for 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile is COc1cc(C)cc(-c2ccc(C#N)c3nccnc23)c1.
What is the InChIKey of 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile?
The InChIKey is ACIKOUULJUBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-7-13(9-14(8-11)21-2)15-4-3-12(10-18)16-17(15)20-6-5-19-16/h3-9H,1-2H3.
What are the key properties of 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile?
8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile is sourced from PubChem (CID 71100257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).