7-methoxy-2-methylquinoline-4-carboxylic acid

7-methoxy-2-methylquinoline-4-carboxylic acid

CAS: 189815-81-4

Formula: C12H11NO3

SMILES: COC1=CC2=NC(C)=CC(C(O)=O)=C2C=C1

IUPAC: 7-methoxy-2-methylquinoline-4-carboxylic acid

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

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	4
Hydrogen Bond Donor Count	1
InChIKey	LZTXZKFXJBYRGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.29
Topological Polar Surface Area	59.42
Polarizability	23.55
Ring Count	2
Rotatable Bond Count	2

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