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

C24H25F3N4O2 — CID 10389430

IUPACN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O2/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-5-18(14-20(16)21)28-23(32)15-33-19-6-3-17(4-7-19)24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
InChIKeyRRTFGNWCQSMHSP-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.33
Rot. Bonds5

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

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 10389430) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID10389430
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C24H25F3N4O2/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-5-18(14-20(16)21)28-23(32)15-33-19-6-3-17(4-7-19)24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
InChIKeyRRTFGNWCQSMHSP-UHFFFAOYSA-N
XLogP4.33
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 10389430) is N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RRTFGNWCQSMHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-5-18(14-20(16)21)28-23(32)15-33-19-6-3-17(4-7-19)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-(trifluoromethyl)phenoxy]acetamide?
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 458.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 10389430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).