N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O — CID 15987651

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C24H25F3N4O/c1-3-30-9-11-31(12-10-30)22-13-16(2)20-15-19(7-8-21(20)29-22)28-23(32)17-5-4-6-18(14-17)24(25,26)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,28,32)
InChIKeyBNXZTKURBIUJKE-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.96
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 15987651) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide
PubChem CID15987651
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C24H25F3N4O/c1-3-30-9-11-31(12-10-30)22-13-16(2)20-15-19(7-8-21(20)29-22)28-23(32)17-5-4-6-18(14-17)24(25,26)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,28,32)
InChIKeyBNXZTKURBIUJKE-UHFFFAOYSA-N
XLogP4.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
Aminoquinazoline amide, 35
CID 25138148
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
(2E)-3-(3-Chlorophenyl)-N-[2-(4-ethylpiperazin-1-YL)-4-methylquinolin-6-YL]prop-2-enamide
CID 15987648
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(1-methylpiperidin-4-ylamino)quinazolin-6-yl)benzamide
CID 16086077
N-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16086091
N-(2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018944
N-(2-(2,7-diazaspiro[4.4]nonan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018957
N-(2-(3-isobutyramidopyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide (CID 15987651) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BNXZTKURBIUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-3-30-9-11-31(12-10-30)22-13-16(2)20-15-19(7-8-21(20)29-22)28-23(32)17-5-4-6-18(14-17)24(25,26)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 15987651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).