ethyl 4-amino-6-bromoquinoline-3-carboxylate

ethyl 4-amino-6-bromoquinoline-3-carboxylate

CAS: 1215605-17-6

Formula: C12H11BrN2O2

SMILES: CCOC(=O)C1=C(N)C2=CC(Br)=CC=C2N=C1

IUPAC: ethyl 4-amino-6-bromoquinoline-3-carboxylate

InChI: InChI=1S/C12H11BrN2O2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15)

Composition: C (48.84%), H (3.76%), Br (27.07%), N (9.49%), O (10.84%)

Molar Mass: 295.136

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	294.000391
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VNGPBELPQWPPTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.08
Topological Polar Surface Area	65.21
Polarizability	27.09
Ring Count	2
Rotatable Bond Count	3

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