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

C24H28F3N3O2 — CID 10551401

IUPAC5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H28F3N3O2/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/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyWWYACWFLRHMJLK-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.21
Rot. Bonds6

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

5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 10551401) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID10551401
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H28F3N3O2/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/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyWWYACWFLRHMJLK-UHFFFAOYSA-N
XLogP4.21
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 10551401) is 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-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]-3,4-dihydroquinolin-2-one?
The InChIKey is WWYACWFLRHMJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/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/h2-3,5-8,17H,4,9-16H2,1H3.
What are the key properties of 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 447.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10551401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).