N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

C23H22F3N3O — CID 10150955

IUPACN-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)18-7-3-16(4-8-18)5-12-22(30)27-19-9-10-20-17(15-19)6-11-21(28-20)29-13-1-2-14-29/h3-4,6-11,15H,1-2,5,12-14H2,(H,27,30)
InChIKeyMVQARQYRYGFFIV-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.43
Rot. Bonds5

About N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 10150955) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID10150955
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)18-7-3-16(4-8-18)5-12-22(30)27-19-9-10-20-17(15-19)6-11-21(28-20)29-13-1-2-14-29/h3-4,6-11,15H,1-2,5,12-14H2,(H,27,30)
InChIKeyMVQARQYRYGFFIV-UHFFFAOYSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide 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-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 10150955) is N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)ccc2c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MVQARQYRYGFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c24-23(25,26)18-7-3-16(4-8-18)5-12-22(30)27-19-9-10-20-17(15-19)6-11-21(28-20)29-13-1-2-14-29/h3-4,6-11,15H,1-2,5,12-14H2,(H,27,30).
What are the key properties of N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 413.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 10150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).