3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C19H20F3N5O — CID 59333345

IUPAC3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(C3=CCNCC3)cnc12
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)13-2-3-15-14(10-13)26-17(24-6-1-9-28)18-25-11-16(27(15)18)12-4-7-23-8-5-12/h2-4,10-11,23,28H,1,5-9H2,(H,24,26)
InChIKeyRMPSNPUSJIPWDN-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.07
Rot. Bonds5

About 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333345) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333345
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(C3=CCNCC3)cnc12
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)13-2-3-15-14(10-13)26-17(24-6-1-9-28)18-25-11-16(27(15)18)12-4-7-23-8-5-12/h2-4,10-11,23,28H,1,5-9H2,(H,24,26)
InChIKeyRMPSNPUSJIPWDN-UHFFFAOYSA-N
XLogP3.07
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333345) is 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(C3=CCNCC3)cnc12.
What is the InChIKey of 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is RMPSNPUSJIPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)13-2-3-15-14(10-13)26-17(24-6-1-9-28)18-25-11-16(27(15)18)12-4-7-23-8-5-12/h2-4,10-11,23,28H,1,5-9H2,(H,24,26).
What are the key properties of 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 391.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,2,3,6-tetrahydropyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).