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8-methoxy-5H,6H-benzo[h]quinazolin-2-amine

8-methoxy-5H,6H-benzo[h]quinazolin-2-amine

CAS: 14623-49-5

Formula: C13H13N3O

SMILES: COC1=CC2=C(C=C1)C1=NC(N)=NC=C1CC2

IUPAC: 8-methoxy-5H,6H-benzo[h]quinazolin-2-amine

InChI: InChI=1S/C13H13N3O/c1-17-10-4-5-11-8(6-10)2-3-9-7-15-13(14)16-12(9)11/h4-7H,2-3H2,1H3,(H2,14,15,16)

Composition: C (68.70%), H (5.77%), N (18.49%), O (7.04%)

Molar Mass: 227.267

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.105862051
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CJKQUGYBWAQXHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.88
Topological Polar Surface Area 61.03
Polarizability 25.95
Ring Count 3
Rotatable Bond Count 1

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