N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

C35H34F6N4O2 — CID 118250085

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cnc2c(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cccc2c1
InChIInChI=1S/C35H34F6N4O2/c36-34(37,38)26-6-4-23(5-7-26)22-44-16-12-28(13-17-44)43-33(46)25-20-24-2-1-3-31(32(24)42-21-25)47-30-14-18-45(19-15-30)29-10-8-27(9-11-29)35(39,40)41/h1-11,20-21,28,30H,12-19,22H2,(H,43,46)
InChIKeyAXIAVIQGIVPFGA-UHFFFAOYSA-N
MW656.67 g/mol
LogP7.71
Rot. Bonds7

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (PubChem CID 118250085) has the molecular formula C35H34F6N4O2 and a molecular weight of 656.67 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
PubChem CID118250085
Molecular FormulaC35H34F6N4O2
Molecular Weight656.67 g/mol
Exact Mass656.26
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cnc2c(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cccc2c1
InChIInChI=1S/C35H34F6N4O2/c36-34(37,38)26-6-4-23(5-7-26)22-44-16-12-28(13-17-44)43-33(46)25-20-24-2-1-3-31(32(24)42-21-25)47-30-14-18-45(19-15-30)29-10-8-27(9-11-29)35(39,40)41/h1-11,20-21,28,30H,12-19,22H2,(H,43,46)
InChIKeyAXIAVIQGIVPFGA-UHFFFAOYSA-N
XLogP7.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.67
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-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-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (CID 118250085) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cnc2c(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cccc2c1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The InChIKey is AXIAVIQGIVPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F6N4O2/c36-34(37,38)26-6-4-23(5-7-26)22-44-16-12-28(13-17-44)43-33(46)25-20-24-2-1-3-31(32(24)42-21-25)47-30-14-18-45(19-15-30)29-10-8-27(9-11-29)35(39,40)41/h1-11,20-21,28,30H,12-19,22H2,(H,43,46).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide has a molecular weight of 656.67 g/mol, XLogP of 7.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-8-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is sourced from PubChem (CID 118250085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).