4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline

C18H14N2O — CID 1471608

IUPAC4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C18H14N2O/c1-13-8-10-14(11-9-13)21-18-17-7-4-12-20(17)16-6-3-2-5-15(16)19-18/h2-12H,1H3
InChIKeyXQJFASVINSAJHJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.59
Rot. Bonds2

About 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline

4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline (PubChem CID 1471608) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline
PubChem CID1471608
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C18H14N2O/c1-13-8-10-14(11-9-13)21-18-17-7-4-12-20(17)16-6-3-2-5-15(16)19-18/h2-12H,1H3
InChIKeyXQJFASVINSAJHJ-UHFFFAOYSA-N
XLogP4.59
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline (CID 1471608) is 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline is Cc1ccc(Oc2nc3ccccc3n3cccc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline?
The InChIKey is XQJFASVINSAJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-8-10-14(11-9-13)21-18-17-7-4-12-20(17)16-6-3-2-5-15(16)19-18/h2-12H,1H3.
What are the key properties of 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline?
4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline has a molecular weight of 274.32 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 1471608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).