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

C20H17F3N4O — CID 59333343

IUPAC3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2ccnc12
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)15-5-2-1-4-14(15)13-6-7-17-16(12-13)26-18(24-8-3-11-28)19-25-9-10-27(17)19/h1-2,4-7,9-10,12,28H,3,8,11H2,(H,24,26)
InChIKeyDOTDSRBJVMLLIH-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.36
Rot. Bonds5

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

3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333343) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333343
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2ccnc12
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)15-5-2-1-4-14(15)13-6-7-17-16(12-13)26-18(24-8-3-11-28)19-25-9-10-27(17)19/h1-2,4-7,9-10,12,28H,3,8,11H2,(H,24,26)
InChIKeyDOTDSRBJVMLLIH-UHFFFAOYSA-N
XLogP4.36
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333343) is 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2ccnc12.
What is the InChIKey of 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is DOTDSRBJVMLLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)15-5-2-1-4-14(15)13-6-7-17-16(12-13)26-18(24-8-3-11-28)19-25-9-10-27(17)19/h1-2,4-7,9-10,12,28H,3,8,11H2,(H,24,26).
What are the key properties of 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 386.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).