N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide

C24H25F3N4O — CID 20520139

IUPACN-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)cc2)C1
InChIInChI=1S/C24H25F3N4O/c1-2-31-14-4-5-18(15-31)30-23(32)16-8-10-17(11-9-16)29-21-12-13-28-22-19(21)6-3-7-20(22)24(25,26)27/h3,6-13,18H,2,4-5,14-15H2,1H3,(H,28,29)(H,30,32)
InChIKeyZVHMHWJZNHIOBM-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.21
Rot. Bonds5

About N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide

N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide (PubChem CID 20520139) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
PubChem CID20520139
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)cc2)C1
InChIInChI=1S/C24H25F3N4O/c1-2-31-14-4-5-18(15-31)30-23(32)16-8-10-17(11-9-16)29-21-12-13-28-22-19(21)6-3-7-20(22)24(25,26)27/h3,6-13,18H,2,4-5,14-15H2,1H3,(H,28,29)(H,30,32)
InChIKeyZVHMHWJZNHIOBM-UHFFFAOYSA-N
XLogP5.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide (CID 20520139) is N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide is CCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)cc2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The InChIKey is ZVHMHWJZNHIOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-2-31-14-4-5-18(15-31)30-23(32)16-8-10-17(11-9-16)29-21-12-13-28-22-19(21)6-3-7-20(22)24(25,26)27/h3,6-13,18H,2,4-5,14-15H2,1H3,(H,28,29)(H,30,32).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide has a molecular weight of 442.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 20520139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).