ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate

ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate

CAS: 338954-49-7

Formula: C14H14ClNO2

SMILES: CCOC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2N=C1

IUPAC: ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate

InChI: InChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-16-11-6-8(2)5-9(3)12(11)13(10)15/h5-7H,4H2,1-3H3

Composition: C (63.76%), H (5.35%), Cl (13.44%), N (5.31%), O (12.13%)

Molar Mass: 263.72

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.0713064
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VTIBBHSQWPMQAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.64
Topological Polar Surface Area	39.19
Polarizability	28.63
Ring Count	2
Rotatable Bond Count	3

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