N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine

C25H24F3N5O — CID 71274687

IUPACN-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCN(C)CC(F)(F)F)c3)cc12
InChIInChI=1S/C25H24F3N5O/c1-29-24-21-14-18(8-9-22(21)31-23(32-24)19-6-4-10-30-15-19)17-5-3-7-20(13-17)34-12-11-33(2)16-25(26,27)28/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31,32)
InChIKeyNCKCUWUUHQTVOJ-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.27
Rot. Bonds8

About N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274687) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274687
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC NameN-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCN(C)CC(F)(F)F)c3)cc12
InChIInChI=1S/C25H24F3N5O/c1-29-24-21-14-18(8-9-22(21)31-23(32-24)19-6-4-10-30-15-19)17-5-3-7-20(13-17)34-12-11-33(2)16-25(26,27)28/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31,32)
InChIKeyNCKCUWUUHQTVOJ-UHFFFAOYSA-N
XLogP5.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine 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

N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
CID 71179868
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine (CID 71274687) is N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCN(C)CC(F)(F)F)c3)cc12.
What is the InChIKey of N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is NCKCUWUUHQTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-29-24-21-14-18(8-9-22(21)31-23(32-24)19-6-4-10-30-15-19)17-5-3-7-20(13-17)34-12-11-33(2)16-25(26,27)28/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,31,32).
What are the key properties of N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 467.50 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).