N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C25H25F3N4O2 — CID 22018914

IUPACN-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIInChI=1S/C25H25F3N4O2/c1-16(33)29-21-12-13-32(15-21)23-10-5-18-14-20(8-9-22(18)31-23)30-24(34)11-4-17-2-6-19(7-3-17)25(26,27)28/h2-3,5-10,14,21H,4,11-13,15H2,1H3,(H,29,33)(H,30,34)
InChIKeyHAEBQPAGVYKXCG-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.54
Rot. Bonds6

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

N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22018914) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22018914
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC NameN-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIInChI=1S/C25H25F3N4O2/c1-16(33)29-21-12-13-32(15-21)23-10-5-18-14-20(8-9-22(18)31-23)30-24(34)11-4-17-2-6-19(7-3-17)25(26,27)28/h2-3,5-10,14,21H,4,11-13,15H2,1H3,(H,29,33)(H,30,34)
InChIKeyHAEBQPAGVYKXCG-UHFFFAOYSA-N
XLogP4.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-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-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22018914) is N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1.
What is the InChIKey of N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HAEBQPAGVYKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-16(33)29-21-12-13-32(15-21)23-10-5-18-14-20(8-9-22(18)31-23)30-24(34)11-4-17-2-6-19(7-3-17)25(26,27)28/h2-3,5-10,14,21H,4,11-13,15H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 470.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidopyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22018914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).