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

C25H27F3N4O2 — CID 20520152

IUPACN-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)c(OC)c2)C1
InChIInChI=1S/C25H27F3N4O2/c1-3-32-13-5-6-17(15-32)30-24(33)16-9-10-21(22(14-16)34-2)31-20-11-12-29-23-18(20)7-4-8-19(23)25(26,27)28/h4,7-12,14,17H,3,5-6,13,15H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyVSLIOLOQDSWFJK-UHFFFAOYSA-N
MW472.51 g/mol
LogP5.22
Rot. Bonds6

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

N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide (PubChem CID 20520152) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
PubChem CID20520152
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC NameN-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)c(OC)c2)C1
InChIInChI=1S/C25H27F3N4O2/c1-3-32-13-5-6-17(15-32)30-24(33)16-9-10-21(22(14-16)34-2)31-20-11-12-29-23-18(20)7-4-8-19(23)25(26,27)28/h4,7-12,14,17H,3,5-6,13,15H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyVSLIOLOQDSWFJK-UHFFFAOYSA-N
XLogP5.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide (CID 20520152) is N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide is CCN1CCCC(NC(=O)c2ccc(Nc3ccnc4c(C(F)(F)F)cccc34)c(OC)c2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The InChIKey is VSLIOLOQDSWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-3-32-13-5-6-17(15-32)30-24(33)16-9-10-21(22(14-16)34-2)31-20-11-12-29-23-18(20)7-4-8-19(23)25(26,27)28/h4,7-12,14,17H,3,5-6,13,15H2,1-2H3,(H,29,31)(H,30,33).
What are the key properties of N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide has a molecular weight of 472.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-3-methoxy-4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 20520152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).