2-(3,4-dimethoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid

2-(3,4-dimethoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid

CAS: 492997-55-4

Formula: C20H19NO4

SMILES: COC1=C(OC)C=C(C=C1)C1=CC(C(O)=O)=C2C=C(C)C=C(C)C2=N1

IUPAC: 2-(3,4-dimethoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid

InChI: InChI=1S/C20H19NO4/c1-11-7-12(2)19-14(8-11)15(20(22)23)10-16(21-19)13-5-6-17(24-3)18(9-13)25-4/h5-10H,1-4H3,(H,22,23)

Composition: C (71.20%), H (5.68%), N (4.15%), O (18.97%)

Molar Mass: 337.375

Atom Count: 44

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	337.131408096
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XYBFJRVNNBSHLQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.01
Topological Polar Surface Area	68.65
Polarizability	38.81
Ring Count	3
Rotatable Bond Count	4

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