N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C24H23F3N4O3 — CID 10005009

IUPACN-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CC3CC2CN3)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
InChIKeyQJVKSHKJQIYIKU-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 10005009) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID10005009
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(N2CC3CC2CN3)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
InChIKeyQJVKSHKJQIYIKU-UHFFFAOYSA-N
XLogP4.01
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11155432
CID 11155432
CID 11189610
CID 11189610
CID 11440762
CID 11440762
CID 44407944
CID 44407944
CID 16023475
CID 16023475
CID 44403742
CID 44403742
CID 11201645
CID 11201645
CID 11705240
CID 11705240
CID 6621104
CID 6621104
CID 9804849
CID 9804849
CID 10027853
CID 10027853
CID 10050565
CID 10050565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 10005009) is N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is Cc1cc(N2CC3CC2CN3)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is QJVKSHKJQIYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32).
What are the key properties of N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 472.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 10005009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).