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methyl 2-amino-8-methoxyquinazoline-5-carboxylate

methyl 2-amino-8-methoxyquinazoline-5-carboxylate

CAS: 1352925-69-9

Formula: C11H11N3O3

SMILES: COC(=O)C1=CC=C(OC)C2=NC(N)=NC=C12

IUPAC: methyl 2-amino-8-methoxyquinazoline-5-carboxylate

InChI: InChI=1S/C11H11N3O3/c1-16-8-4-3-6(10(15)17-2)7-5-13-11(12)14-9(7)8/h3-5H,1-2H3,(H2,12,13,14)

Composition: C (56.65%), H (4.75%), N (18.02%), O (20.58%)

Molar Mass: 233.227

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 233.080041226
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey HTVOFKQDVUDZNH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.94
Topological Polar Surface Area 87.33
Polarizability 24.15
Ring Count 2
Rotatable Bond Count 3

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