[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol

C16H17F3N4O — CID 141071245

IUPAC[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESCC(C)CNc1nc2cc(C(F)(F)F)ccc2n2c(CO)cnc12
InChIInChI=1S/C16H17F3N4O/c1-9(2)6-20-14-15-21-7-11(8-24)23(15)13-4-3-10(16(17,18)19)5-12(13)22-14/h3-5,7,9,24H,6,8H2,1-2H3,(H,20,22)
InChIKeyOXSSDWZXXRXXOA-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.46
Rot. Bonds4

About [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol

[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol (PubChem CID 141071245) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
PubChem CID141071245
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESCC(C)CNc1nc2cc(C(F)(F)F)ccc2n2c(CO)cnc12
InChIInChI=1S/C16H17F3N4O/c1-9(2)6-20-14-15-21-7-11(8-24)23(15)13-4-3-10(16(17,18)19)5-12(13)22-14/h3-5,7,9,24H,6,8H2,1-2H3,(H,20,22)
InChIKeyOXSSDWZXXRXXOA-UHFFFAOYSA-N
XLogP3.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The IUPAC name of [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol (CID 141071245) is [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol.
What is the SMILES notation for [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The canonical SMILES for [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol is CC(C)CNc1nc2cc(C(F)(F)F)ccc2n2c(CO)cnc12.
What is the InChIKey of [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The InChIKey is OXSSDWZXXRXXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9(2)6-20-14-15-21-7-11(8-24)23(15)13-4-3-10(16(17,18)19)5-12(13)22-14/h3-5,7,9,24H,6,8H2,1-2H3,(H,20,22).
What are the key properties of [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol?
[4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol has a molecular weight of 338.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]methanol is sourced from PubChem (CID 141071245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).