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ethyl 5-methoxyquinoline-3-carboxylate

ethyl 5-methoxyquinoline-3-carboxylate

CAS: 2227107-82-4

Formula: C13H13NO3

SMILES: CCOC(=O)C1=CC2=C(OC)C=CC=C2N=C1

IUPAC: ethyl 5-methoxyquinoline-3-carboxylate

InChI: InChI=1S/C13H13NO3/c1-3-17-13(15)9-7-10-11(14-8-9)5-4-6-12(10)16-2/h4-8H,3H2,1-2H3

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 231.251

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.089543283
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XONDRXDQBKBWSB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.22
Topological Polar Surface Area 48.42
Polarizability 25.73
Ring Count 2
Rotatable Bond Count 4

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