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

C14H13F3N4O — CID 25070092

IUPAC3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2ccnc12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)9-2-3-11-10(8-9)20-12(18-4-1-7-22)13-19-5-6-21(11)13/h2-3,5-6,8,22H,1,4,7H2,(H,18,20)
InChIKeyFOMKHEVQOMUTGU-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.70
Rot. Bonds4

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

3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 25070092) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID25070092
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2ccnc12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)9-2-3-11-10(8-9)20-12(18-4-1-7-22)13-19-5-6-21(11)13/h2-3,5-6,8,22H,1,4,7H2,(H,18,20)
InChIKeyFOMKHEVQOMUTGU-UHFFFAOYSA-N
XLogP2.70
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

CGS 12066B-parent
CID 2689
Bms 345541
CID 9926054
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
Eapb-0203
CID 24779760
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100
N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 16663529
(2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol
CID 90335209
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
7-methyl-N-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 51347106
2-Phenyl-3H-imidazo[1,2-a]quinoxalin-4-ylamine
CID 10400383
7-Methyl-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxaline
CID 10849394

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 25070092) is 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2ccnc12.
What is the InChIKey of 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is FOMKHEVQOMUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c15-14(16,17)9-2-3-11-10(8-9)20-12(18-4-1-7-22)13-19-5-6-21(11)13/h2-3,5-6,8,22H,1,4,7H2,(H,18,20).
What are the key properties of 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 310.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 25070092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).