2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylic acid

2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylic acid

CAS: 895965-50-1

Formula: C19H16ClNO2

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

IUPAC: 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylic acid

InChI: InChI=1S/C19H16ClNO2/c1-10-7-11(2)17-15(8-10)16(19(22)23)12(3)18(21-17)13-5-4-6-14(20)9-13/h4-9H,1-3H3,(H,22,23)

Composition: C (70.05%), H (4.95%), Cl (10.88%), N (4.30%), O (9.82%)

Molar Mass: 325.79

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	325.0869565
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QEKRJLYSAKVGEV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	91.93
Topological Polar Surface Area	50.19
Polarizability	37.41
Ring Count	3
Rotatable Bond Count	2

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