N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C24H25F3N4O3 — CID 11511219

IUPACN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
InChIKeyKXSHHMIQRGVCEY-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.21
Rot. Bonds6

About N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 11511219) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID11511219
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
InChIKeyKXSHHMIQRGVCEY-UHFFFAOYSA-N
XLogP4.21
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 11511219) is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is KXSHHMIQRGVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32).
What are the key properties of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 474.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 11511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).