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2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid

2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid

CAS: 107027-41-8

Formula: C18H15NO3

SMILES: COC1=CC=CC(=C1)C1=CC(C(O)=O)=C2C=CC=C(C)C2=N1

IUPAC: 2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H15NO3/c1-11-5-3-8-14-15(18(20)21)10-16(19-17(11)14)12-6-4-7-13(9-12)22-2/h3-10H,1-2H3,(H,20,21)

Composition: C (73.71%), H (5.15%), N (4.78%), O (16.36%)

Molar Mass: 293.322

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 293.105193347
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FTBPGONXYWLYIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.5
Topological Polar Surface Area 59.42
Polarizability 34.56
Ring Count 3
Rotatable Bond Count 3

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