methyl 6-methoxyisoquinoline-3-carboxylate

methyl 6-methoxyisoquinoline-3-carboxylate

CAS: 224321-67-9

Formula: C12H11NO3

SMILES: COC(=O)C1=NC=C2C=CC(OC)=CC2=C1

IUPAC: methyl 6-methoxyisoquinoline-3-carboxylate

InChI: InChI=1S/C12H11NO3/c1-15-10-4-3-8-7-13-11(12(14)16-2)6-9(8)5-10/h3-7H,1-2H3

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GKRQHGXMVRSJTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.47
Topological Polar Surface Area	48.42
Polarizability	23.88
Ring Count	2
Rotatable Bond Count	3

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