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methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate

methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate

CAS: 1421312-34-6

Formula: C18H15NO4

SMILES: COC(=O)C1=C(O)C2=CC=C(OC3=CC=CC=C3)C=C2C(C)=N1

IUPAC: methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate

InChI: InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3

Composition: C (69.89%), H (4.89%), N (4.53%), O (20.69%)

Molar Mass: 309.321

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 309.100107967
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WJGPMRFWBJZJOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.82
Topological Polar Surface Area 68.65
Polarizability 34.06
Ring Count 3
Rotatable Bond Count 4

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