6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide

C39H41F6N5O2 — CID 53465000

IUPAC6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide
SMILESCN(C)C(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCCC4)CC3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2c1
InChIInChI=1S/C39H41F6N5O2/c1-48(2)37(52)27-14-15-32-30(23-27)33(36(51)47-35(39(43,44)45)25-10-5-3-6-11-25)31(34(46-32)26-12-9-13-28(22-26)38(40,41)42)24-49-20-16-29(17-21-49)50-18-7-4-8-19-50/h3,5-6,9-15,22-23,29,35H,4,7-8,16-21,24H2,1-2H3,(H,47,51)/t35-/m1/s1
InChIKeyODOSJPZERHJAKJ-PGUFJCEWSA-N
MW725.78 g/mol
LogP8.11
Rot. Bonds8

About 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide

6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide (PubChem CID 53465000) has the molecular formula C39H41F6N5O2 and a molecular weight of 725.78 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide
PubChem CID53465000
Molecular FormulaC39H41F6N5O2
Molecular Weight725.78 g/mol
Exact Mass725.32
IUPAC Name6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide
SMILESCN(C)C(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCCC4)CC3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2c1
InChIInChI=1S/C39H41F6N5O2/c1-48(2)37(52)27-14-15-32-30(23-27)33(36(51)47-35(39(43,44)45)25-10-5-3-6-11-25)31(34(46-32)26-12-9-13-28(22-26)38(40,41)42)24-49-20-16-29(17-21-49)50-18-7-4-8-19-50/h3,5-6,9-15,22-23,29,35H,4,7-8,16-21,24H2,1-2H3,(H,47,51)/t35-/m1/s1
InChIKeyODOSJPZERHJAKJ-PGUFJCEWSA-N
XLogP8.11
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.78
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide?
The IUPAC name of 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide (CID 53465000) is 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide.
What is the SMILES notation for 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide?
The canonical SMILES for 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide is CN(C)C(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCCCC4)CC3)c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c2c1.
What is the InChIKey of 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide?
The InChIKey is ODOSJPZERHJAKJ-PGUFJCEWSA-N. The full InChI is InChI=1S/C39H41F6N5O2/c1-48(2)37(52)27-14-15-32-30(23-27)33(36(51)47-35(39(43,44)45)25-10-5-3-6-11-25)31(34(46-32)26-12-9-13-28(22-26)38(40,41)42)24-49-20-16-29(17-21-49)50-18-7-4-8-19-50/h3,5-6,9-15,22-23,29,35H,4,7-8,16-21,24H2,1-2H3,(H,47,51)/t35-/m1/s1.
What are the key properties of 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide?
6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide has a molecular weight of 725.78 g/mol, XLogP of 8.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4,6-dicarboxamide is sourced from PubChem (CID 53465000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).