N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine

C22H17F3N4O — CID 16748212

IUPACN,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
SMILESCN(C)c1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C22H17F3N4O/c1-29(2)19-11-8-15-4-3-5-18(21(15)28-19)30-20-12-17(26-13-27-20)14-6-9-16(10-7-14)22(23,24)25/h3-13H,1-2H3
InChIKeyOVQYVMZSOOXJSB-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.57
Rot. Bonds4

About N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine

N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine (PubChem CID 16748212) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
PubChem CID16748212
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine
SMILESCN(C)c1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C22H17F3N4O/c1-29(2)19-11-8-15-4-3-5-18(21(15)28-19)30-20-12-17(26-13-27-20)14-6-9-16(10-7-14)22(23,24)25/h3-13H,1-2H3
InChIKeyOVQYVMZSOOXJSB-UHFFFAOYSA-N
XLogP5.57
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine 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,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The IUPAC name of N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine (CID 16748212) is N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine.
What is the SMILES notation for N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The canonical SMILES for N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine is CN(C)c1ccc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1.
What is the InChIKey of N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
The InChIKey is OVQYVMZSOOXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-29(2)19-11-8-15-4-3-5-18(21(15)28-19)30-20-12-17(26-13-27-20)14-6-9-16(10-7-14)22(23,24)25/h3-13H,1-2H3.
What are the key properties of N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine?
N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine has a molecular weight of 410.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinolin-2-amine is sourced from PubChem (CID 16748212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).