CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC3CCNCC3
CAS: 288385-87-5
Name: [6-methoxy-4-oxo-7-(piperidin-4-ylmethoxy)quinazolin-3-yl]methyl 2,2-dimethylpropanoate
SMILES: CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC3CCNCC3

Molecular Processing

Molecular formula
C21H29N3O5
Molecular weight
403.48
Exact mass
403.2107
XLogP
2.33
TPSA
91.68
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
109.19

Supplementary Information

InChIKey: UDQOUIKKIADMCY-UHFFFAOYSA-N
Synonyme
288385-87-5(6-Methoxy-4-oxo-7-(piperidin-4-ylmethoxy)quinazolin-3(4H)-yl)methyl pivalate{6-methoxy-4-oxo-7-[(piperidin-4-yl)methoxy]-3,4-dihydroquinazolin-3-yl}methyl 2,2-dimethylpropanoateSCHEMBL1613324UDQOUIKKIADMCY-UHFFFAOYSA-NDB-200376(7-((Piperidin-4-yl)methoxy)-6-methoxy-4-oxoquinazolin-3(4h)-yl)methyl pivalate6-methoxy-7-(piperidin-4-ylmethoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one
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