8-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

8-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

CAS: 862647-95-8

Formula: C18H14ClNO2

SMILES: CC1=C(C)C=C(C=C1)C1=CC(C(O)=O)=C2C=CC=C(Cl)C2=N1

IUPAC: 8-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C18H14ClNO2/c1-10-6-7-12(8-11(10)2)16-9-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22)

Composition: C (69.35%), H (4.53%), Cl (11.37%), N (4.49%), O (10.26%)

Molar Mass: 311.77

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	311.0713064
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZKLLHOZHAMVIBV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.89
Topological Polar Surface Area	50.19
Polarizability	35.67
Ring Count	3
Rotatable Bond Count	2

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