N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

C23H22F3N3O — CID 56504820

IUPACN-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H22F3N3O/c1-28(15-17-9-2-4-10-19(17)23(24,25)26)22(30)18-14-16-8-3-5-11-20(16)27-21(18)29-12-6-7-13-29/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyQDOOHPMLWCYBIG-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.13
Rot. Bonds4

About N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (PubChem CID 56504820) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
PubChem CID56504820
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H22F3N3O/c1-28(15-17-9-2-4-10-19(17)23(24,25)26)22(30)18-14-16-8-3-5-11-20(16)27-21(18)29-12-6-7-13-29/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyQDOOHPMLWCYBIG-UHFFFAOYSA-N
XLogP5.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56516472
N-(4-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886615
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55549165
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55550553
2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 38254330
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886621
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The IUPAC name of N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (CID 56504820) is N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The canonical SMILES for N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2ccccc2nc1N1CCCC1.
What is the InChIKey of N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The InChIKey is QDOOHPMLWCYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-28(15-17-9-2-4-10-19(17)23(24,25)26)22(30)18-14-16-8-3-5-11-20(16)27-21(18)29-12-6-7-13-29/h2-5,8-11,14H,6-7,12-13,15H2,1H3.
What are the key properties of N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 56504820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).