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

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

CAS: 847503-14-4

Formula: C17H10ClNO4

SMILES: OC(=O)C1=C2C=C(Cl)C=CC2=NC(=C1)C1=CC2=C(OCO2)C=C1

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

InChI: InChI=1S/C17H10ClNO4/c18-10-2-3-13-11(6-10)12(17(20)21)7-14(19-13)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2,(H,20,21)

Composition: C (62.31%), H (3.08%), Cl (10.82%), N (4.27%), O (19.53%)

Molar Mass: 327.72

Atom Count: 33

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	327.0298355
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VFXGTHADBCZERH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.57
Topological Polar Surface Area	68.65
Polarizability	34.54
Ring Count	4
Rotatable Bond Count	2

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