6-chloro-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

6-chloro-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

CAS: 932796-35-5

Formula: C18H14ClNO3

SMILES: COC1=CC=C(C=C1)C1=C(C)C(C(O)=O)=C2C=C(Cl)C=CC2=N1

IUPAC: 6-chloro-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C18H14ClNO3/c1-10-16(18(21)22)14-9-12(19)5-8-15(14)20-17(10)11-3-6-13(23-2)7-4-11/h3-9H,1-2H3,(H,21,22)

Composition: C (65.96%), H (4.31%), Cl (10.82%), N (4.27%), O (14.64%)

Molar Mass: 327.76

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	327.066221
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RXTVTPPXVIJGNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.31
Topological Polar Surface Area	59.42
Polarizability	36.37
Ring Count	3
Rotatable Bond Count	3

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