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minipress

minipress

CAS: 19237-84-4

Formula: C19H22ClN5O4

SMILES: Cl.COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1

IUPAC: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride

InChI: InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H

Composition: C (54.35%), H (5.28%), Cl (8.44%), N (16.68%), O (15.24%)

Molar Mass: 419.87

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 419.1360319
Formal Charge 0
FSP3 0.32
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey WFXFYZULCQKPIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.5
Topological Polar Surface Area 106.95
Polarizability 39.32
Ring Count 4
Rotatable Bond Count 4

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