[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol

C20H23F3N4O3 — CID 70891318

IUPAC[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)13-5-6-16-15(10-13)26-18(19-25-11-14(12-28)27(16)19)24-7-3-9-30-17-4-1-2-8-29-17/h5-6,10-11,17,28H,1-4,7-9,12H2,(H,24,26)
InChIKeyCRSQMRIBPXROIP-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.74
Rot. Bonds7

About [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol

[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol (PubChem CID 70891318) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol.

Molecular Properties

Compound Name[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
PubChem CID70891318
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESOCc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)13-5-6-16-15(10-13)26-18(19-25-11-14(12-28)27(16)19)24-7-3-9-30-17-4-1-2-8-29-17/h5-6,10-11,17,28H,1-4,7-9,12H2,(H,24,26)
InChIKeyCRSQMRIBPXROIP-UHFFFAOYSA-N
XLogP3.74
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The IUPAC name of [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol (CID 70891318) is [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol.
What is the SMILES notation for [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The canonical SMILES for [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol is OCc1cnc2c(NCCCOC3CCCCO3)nc3cc(C(F)(F)F)ccc3n12.
What is the InChIKey of [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The InChIKey is CRSQMRIBPXROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c21-20(22,23)13-5-6-16-15(10-13)26-18(19-25-11-14(12-28)27(16)19)24-7-3-9-30-17-4-1-2-8-29-17/h5-6,10-11,17,28H,1-4,7-9,12H2,(H,24,26).
What are the key properties of [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
[4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol has a molecular weight of 424.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(oxan-2-yloxy)propylamino]-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol is sourced from PubChem (CID 70891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).