4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

C20H18N2O3 — CID 509474

IUPAC4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
SMILESCOc1cc(OC)cc(OCc2nc3ccccc3n3cccc23)c1
InChIInChI=1S/C20H18N2O3/c1-23-14-10-15(24-2)12-16(11-14)25-13-18-20-8-5-9-22(20)19-7-4-3-6-17(19)21-18/h3-12H,13H2,1-2H3
InChIKeyFLAVUKSCLFTLDS-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.08
Rot. Bonds5

About 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline (PubChem CID 509474) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
PubChem CID509474
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
SMILESCOc1cc(OC)cc(OCc2nc3ccccc3n3cccc23)c1
InChIInChI=1S/C20H18N2O3/c1-23-14-10-15(24-2)12-16(11-14)25-13-18-20-8-5-9-22(20)19-7-4-3-6-17(19)21-18/h3-12H,13H2,1-2H3
InChIKeyFLAVUKSCLFTLDS-UHFFFAOYSA-N
XLogP4.08
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline (CID 509474) is 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline is COc1cc(OC)cc(OCc2nc3ccccc3n3cccc23)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is FLAVUKSCLFTLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-23-14-10-15(24-2)12-16(11-14)25-13-18-20-8-5-9-22(20)19-7-4-3-6-17(19)21-18/h3-12H,13H2,1-2H3.
What are the key properties of 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline?
4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 334.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 509474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).