4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide

C22H21F3N4O — CID 171512798

IUPAC4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc4cccnc34)cc2C(F)(F)F)CC1
InChIInChI=1S/C22H21F3N4O/c1-28-10-12-29(13-11-28)19-8-7-16(14-17(19)22(23,24)25)21(30)27-18-6-2-4-15-5-3-9-26-20(15)18/h2-9,14H,10-13H2,1H3,(H,27,30)
InChIKeyKSXDFZCVCMVPBA-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide

4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide (PubChem CID 171512798) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
PubChem CID171512798
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc4cccnc34)cc2C(F)(F)F)CC1
InChIInChI=1S/C22H21F3N4O/c1-28-10-12-29(13-11-28)19-8-7-16(14-17(19)22(23,24)25)21(30)27-18-6-2-4-15-5-3-9-26-20(15)18/h2-9,14H,10-13H2,1H3,(H,27,30)
InChIKeyKSXDFZCVCMVPBA-UHFFFAOYSA-N
XLogP4.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzoyl chloride
CID 154686719
4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide
CID 171471692
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide (CID 171512798) is 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cccc4cccnc34)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide?
The InChIKey is KSXDFZCVCMVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-28-10-12-29(13-11-28)19-8-7-16(14-17(19)22(23,24)25)21(30)27-18-6-2-4-15-5-3-9-26-20(15)18/h2-9,14H,10-13H2,1H3,(H,27,30).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide?
4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide has a molecular weight of 414.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171512798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).