2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline

C16H16N2O — CID 143602495

IUPAC2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline
SMILESCOc1nc2ccccc2nc1C1C=CC=CC1C
InChIInChI=1S/C16H16N2O/c1-11-7-3-4-8-12(11)15-16(19-2)18-14-10-6-5-9-13(14)17-15/h3-12H,1-2H3
InChIKeyACIYFKBJEROQKP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.48
Rot. Bonds2

About 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline

2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline (PubChem CID 143602495) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline.

Molecular Properties

Compound Name2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline
PubChem CID143602495
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline
SMILESCOc1nc2ccccc2nc1C1C=CC=CC1C
InChIInChI=1S/C16H16N2O/c1-11-7-3-4-8-12(11)15-16(19-2)18-14-10-6-5-9-13(14)17-15/h3-12H,1-2H3
InChIKeyACIYFKBJEROQKP-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline?
The IUPAC name of 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline (CID 143602495) is 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline.
What is the SMILES notation for 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline?
The canonical SMILES for 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline is COc1nc2ccccc2nc1C1C=CC=CC1C.
What is the InChIKey of 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline?
The InChIKey is ACIYFKBJEROQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-3-4-8-12(11)15-16(19-2)18-14-10-6-5-9-13(14)17-15/h3-12H,1-2H3.
What are the key properties of 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline?
2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline has a molecular weight of 252.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(6-methylcyclohexa-2,4-dien-1-yl)quinoxaline is sourced from PubChem (CID 143602495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).