quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

C22H20F3N3O2 — CID 37358886

IUPACquinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc2ncccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-6-16(7-9-17)15-27-11-13-28(14-12-27)21(29)19-3-1-5-20-18(19)4-2-10-26-20/h1-10H,11-15H2
InChIKeyMYNBIEQYQYZNIK-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.09
Rot. Bonds4

About quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 37358886) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namequinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID37358886
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Namequinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc2ncccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-6-16(7-9-17)15-27-11-13-28(14-12-27)21(29)19-3-1-5-20-18(19)4-2-10-26-20/h1-10H,11-15H2
InChIKeyMYNBIEQYQYZNIK-UHFFFAOYSA-N
XLogP4.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 37358886) is quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1cccc2ncccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is MYNBIEQYQYZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-6-16(7-9-17)15-27-11-13-28(14-12-27)21(29)19-3-1-5-20-18(19)4-2-10-26-20/h1-10H,11-15H2.
What are the key properties of quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 37358886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).