4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

C21H17F3N2O3 — CID 509478

IUPAC4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1cc(OC)cc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)c1
InChIInChI=1S/C21H17F3N2O3/c1-27-14-9-15(28-2)11-16(10-14)29-12-18-19-4-3-7-26(19)20-6-5-13(21(22,23)24)8-17(20)25-18/h3-11H,12H2,1-2H3
InChIKeyZQZLFZJXEAJANO-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.10
Rot. Bonds5

About 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (PubChem CID 509478) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
PubChem CID509478
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1cc(OC)cc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)c1
InChIInChI=1S/C21H17F3N2O3/c1-27-14-9-15(28-2)11-16(10-14)29-12-18-19-4-3-7-26(19)20-6-5-13(21(22,23)24)8-17(20)25-18/h3-11H,12H2,1-2H3
InChIKeyZQZLFZJXEAJANO-UHFFFAOYSA-N
XLogP5.10
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylphenyl pyrrolo[1,2-a]quinoxalin-4-yl ether
CID 1471608
2-[3-Methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline
CID 56712812
4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 399540
4-[(4-Methoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 509475
7-(Trifluoromethyl)-4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 509477
4-[(4-Methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
CID 509479
Ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
CID 509480
4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid
CID 509482
4-[(3,5-Dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 509474
3,6-Difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile
CID 139233530
2-(2,4,5-Trifluoro-3-methoxyphenoxy)quinoxaline
CID 139233534
2-(2,4-Difluoro-3,5-dimethoxyphenoxy)quinoxaline
CID 139233535

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CID 509478) is 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is COc1cc(OC)cc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is ZQZLFZJXEAJANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-27-14-9-15(28-2)11-16(10-14)29-12-18-19-4-3-7-26(19)20-6-5-13(21(22,23)24)8-17(20)25-18/h3-11H,12H2,1-2H3.
What are the key properties of 4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
4-[(3,5-dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 402.37 g/mol, XLogP of 5.10, 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]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 509478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).