5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one

C24H26F3N3O2 — CID 11797587

IUPAC5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F3N3O2/c1-32-22-8-3-7-21-20(22)9-10-23(31)30(21)12-4-11-28-13-15-29(16-14-28)19-6-2-5-18(17-19)24(25,26)27/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyUPMTXQBFGGSRSD-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.24
Rot. Bonds6

About 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one

5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one (PubChem CID 11797587) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one.

Molecular Properties

Compound Name5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one
PubChem CID11797587
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one
SMILESCOc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F3N3O2/c1-32-22-8-3-7-21-20(22)9-10-23(31)30(21)12-4-11-28-13-15-29(16-14-28)19-6-2-5-18(17-19)24(25,26)27/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyUPMTXQBFGGSRSD-UHFFFAOYSA-N
XLogP4.24
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one?
The IUPAC name of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one (CID 11797587) is 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one.
What is the SMILES notation for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one?
The canonical SMILES for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one is COc1cccc2c1ccc(=O)n2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one?
The InChIKey is UPMTXQBFGGSRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-32-22-8-3-7-21-20(22)9-10-23(31)30(21)12-4-11-28-13-15-29(16-14-28)19-6-2-5-18(17-19)24(25,26)27/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one?
5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one has a molecular weight of 445.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinolin-2-one is sourced from PubChem (CID 11797587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).