COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5
Name: 6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
SMILES: COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCC(=O)N5

Molecular Processing

Molecular formula
C25H29N5O4
Molecular weight
463.54
Exact mass
463.222
XLogP
1.99
TPSA
97.72
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
129.42

Supplementary Information

InChIKey: PRMREDCRHRZETH-UHFFFAOYSA-N
Synonyme
SCHEMBL2796097PRMREDCRHRZETH-UHFFFAOYSA-N6-(((1-(2-(7-methoxy-2-oxoquinoxaline-1-(2H)-yl)ethyl)piperidin-4-yl)amino)methyl)-2H-1,4-benzooxazine-3(4H)-one
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