3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C24H24F3N5O2 — CID 59333311

IUPAC3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccc(N4CCOCC4)cc3)cnc12
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)17-4-7-20-19(14-17)30-22(28-8-1-11-33)23-29-15-21(32(20)23)16-2-5-18(6-3-16)31-9-12-34-13-10-31/h2-7,14-15,33H,1,8-13H2,(H,28,30)
InChIKeyJETNCKLAVAFLQW-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.20
Rot. Bonds6

About 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333311) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333311
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccc(N4CCOCC4)cc3)cnc12
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)17-4-7-20-19(14-17)30-22(28-8-1-11-33)23-29-15-21(32(20)23)16-2-5-18(6-3-16)31-9-12-34-13-10-31/h2-7,14-15,33H,1,8-13H2,(H,28,30)
InChIKeyJETNCKLAVAFLQW-UHFFFAOYSA-N
XLogP4.20
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.20
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 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333311) is 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccc(N4CCOCC4)cc3)cnc12.
What is the InChIKey of 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is JETNCKLAVAFLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c25-24(26,27)17-4-7-20-19(14-17)30-22(28-8-1-11-33)23-29-15-21(32(20)23)16-2-5-18(6-3-16)31-9-12-34-13-10-31/h2-7,14-15,33H,1,8-13H2,(H,28,30).
What are the key properties of 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 471.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).