4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

C23H26F3N5O2S — CID 70823627

IUPAC4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H26F3N5O2S/c24-23(25,26)33-19-5-4-17-3-1-6-27-20(17)21(19)30-8-2-7-29(9-10-30)15-18-16-34-22(28-18)31-11-13-32-14-12-31/h1,3-6,16H,2,7-15H2
InChIKeyQYPZTPDFKOBZEK-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.14
Rot. Bonds5

About 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 70823627) has the molecular formula C23H26F3N5O2S and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID70823627
Molecular FormulaC23H26F3N5O2S
Molecular Weight493.56 g/mol
Exact Mass493.18
IUPAC Name4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H26F3N5O2S/c24-23(25,26)33-19-5-4-17-3-1-6-27-20(17)21(19)30-8-2-7-29(9-10-30)15-18-16-34-22(28-18)31-11-13-32-14-12-31/h1,3-6,16H,2,7-15H2
InChIKeyQYPZTPDFKOBZEK-UHFFFAOYSA-N
XLogP4.14
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 70823627) is 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is QYPZTPDFKOBZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2S/c24-23(25,26)33-19-5-4-17-3-1-6-27-20(17)21(19)30-8-2-7-29(9-10-30)15-18-16-34-22(28-18)31-11-13-32-14-12-31/h1,3-6,16H,2,7-15H2.
What are the key properties of 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 493.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[7-(trifluoromethoxy)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 70823627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).