C1CC(=O)N(C1)CCCNC2=C3C=CC(=CC3=NC=C2N)C4=CC=CC=C4
名称: 1-[3-[(3-amino-7-phenylquinolin-4-yl)amino]propyl]pyrrolidin-2-one
SMILES: C1CC(=O)N(C1)CCCNC2=C3C=CC(=CC3=NC=C2N)C4=CC=CC=C4

Molecular Processing

Molecular formula
C22H24N4O
Molecular weight
360.46
Exact mass
360.195
XLogP
3.91
TPSA
71.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.51

Supplementary Information

InChIKey: PDZRRJKUMXICEC-UHFFFAOYSA-N
同義語
SCHEMBL3862490PDZRRJKUMXICEC-UHFFFAOYSA-N1-[3-(3-Amino-7-phenylquinolin-4-ylamino)propyl]pyrrolidin-2-one
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