2-(2H-1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid

2-(2H-1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid

CAS: 438220-99-6

Formula: C18H13NO4

SMILES: CC1=CC2=C(C=C(N=C2C=C1)C1=CC2=C(OCO2)C=C1)C(O)=O

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H13NO4/c1-10-2-4-14-12(6-10)13(18(20)21)8-15(19-14)11-3-5-16-17(7-11)23-9-22-16/h2-8H,9H2,1H3,(H,20,21)

Composition: C (70.35%), H (4.26%), N (4.56%), O (20.82%)

Molar Mass: 307.305

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	307.084457903
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MFJIYRWFCABQBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.81
Topological Polar Surface Area	68.65
Polarizability	34.46
Ring Count	4
Rotatable Bond Count	2

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