N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide

C27H32F3N5O2 — CID 10815708

IUPACN,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide
SMILESCN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C27H32F3N5O2/c1-33(2)26(36)21-18-32-22-9-4-3-8-20(22)25(21)31-12-7-13-34-14-16-35(17-15-34)23-10-5-6-11-24(23)37-19-27(28,29)30/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,31,32)
InChIKeyASVLTVMZMRWUDI-UHFFFAOYSA-N
MW515.58 g/mol
LogP4.50
Rot. Bonds9

About N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide

N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide (PubChem CID 10815708) has the molecular formula C27H32F3N5O2 and a molecular weight of 515.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide
PubChem CID10815708
Molecular FormulaC27H32F3N5O2
Molecular Weight515.58 g/mol
Exact Mass515.25
IUPAC NameN,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide
SMILESCN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C27H32F3N5O2/c1-33(2)26(36)21-18-32-22-9-4-3-8-20(22)25(21)31-12-7-13-34-14-16-35(17-15-34)23-10-5-6-11-24(23)37-19-27(28,29)30/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,31,32)
InChIKeyASVLTVMZMRWUDI-UHFFFAOYSA-N
XLogP4.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide (CID 10815708) is N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide is CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide?
The InChIKey is ASVLTVMZMRWUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O2/c1-33(2)26(36)21-18-32-22-9-4-3-8-20(22)25(21)31-12-7-13-34-14-16-35(17-15-34)23-10-5-6-11-24(23)37-19-27(28,29)30/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,31,32).
What are the key properties of N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide?
N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide is sourced from PubChem (CID 10815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).