Nombre: 6-[[5-[2-[ethyl(methyl)amino]ethoxy]-2-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

SMILES: CCN(C)CCOC1=CN=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC4=NN(C=C4)C

Molecular Processing

Molecular formula

C22H25N7O2

Molecular weight

419.49

Exact mass

419.207

XLogP

3.62

TPSA

90.22

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.273

Molar refractivity

119.01

Supplementary Information

InChIKey: AGNBOZBYZYFUNQ-UHFFFAOYSA-N

Sinónimos

SCHEMBL2884204AGNBOZBYZYFUNQ-UHFFFAOYSA-N6-[(5-{2-[ethyl(methyl)amino]ethoxy}pyridin-2-yl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)quinazoline-4-amine