ethyl 5-aminoquinoline-3-carboxylate

ethyl 5-aminoquinoline-3-carboxylate

CAS: 1416440-22-6

Formula: C12H12N2O2

SMILES: CCOC(=O)C1=CC2=C(N)C=CC=C2N=C1

IUPAC: ethyl 5-aminoquinoline-3-carboxylate

InChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2,13H2,1H3

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.089877634
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CRHQHVDNHKUISX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.45
Topological Polar Surface Area	65.21
Polarizability	24.35
Ring Count	2
Rotatable Bond Count	3

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