4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

C20H15F3N2O2 — CID 509479

IUPAC4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C20H15F3N2O2/c1-26-14-5-7-15(8-6-14)27-12-17-18-3-2-10-25(18)19-9-4-13(20(21,22)23)11-16(19)24-17/h2-11H,12H2,1H3
InChIKeyMFSDDYBOOIRSCP-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.09
Rot. Bonds4

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

4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (PubChem CID 509479) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
PubChem CID509479
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C20H15F3N2O2/c1-26-14-5-7-15(8-6-14)27-12-17-18-3-2-10-25(18)19-9-4-13(20(21,22)23)11-16(19)24-17/h2-11H,12H2,1H3
InChIKeyMFSDDYBOOIRSCP-UHFFFAOYSA-N
XLogP5.09
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(NE)-N-(2-pyrrolo[1,2-a]pyrazin-3-ylchromen-4-ylidene)hydroxylamine
CID 137642559
4-(3-Fluorophenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471610
4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline
CID 127052549
4-Methylphenyl pyrrolo[1,2-a]quinoxalin-4-yl ether
CID 1471608
4-Phenoxypyrrolo[1,2-a]quinoxaline
CID 1471609
4-(4-Methoxyphenoxy)pyrrolo[1,2-a]quinoxaline
CID 3500346
7-methoxy-4-[(E)-2-phenylethenyl]pyrrolo[1,2-a]quinoxaline
CID 44422149
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-[(3,5-Dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
CID 509478
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CID 509479) is 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is COc1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is MFSDDYBOOIRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-26-14-5-7-15(8-6-14)27-12-17-18-3-2-10-25(18)19-9-4-13(20(21,22)23)11-16(19)24-17/h2-11H,12H2,1H3.
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline?
4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 372.35 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).