Name: [4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanone

SMILES: CC1CC(C2=CC=CC=C2N1C(=O)C3=CC4=C(C=C3)N(CCO4)C)NC5=CC=C(C=C5)Cl

Molecular Processing

Molecular formula

C26H26ClN3O2

Molecular weight

447.97

Exact mass

447.1714

XLogP

5.76

TPSA

44.81

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

0.269

Molar refractivity

130.35

Supplementary Information

InChIKey: KMLGPDUJLXZYPY-UHFFFAOYSA-N

Synonyme

SCHEMBL4134880