Home Other Building Blocks 3-(piperidin-3-yl)-3,4-dihydroquinazolin-4-one dihydrochloride

3-(piperidin-3-yl)-3,4-dihydroquinazolin-4-one dihydrochloride

CAS No.:
2097936-80-4
Catalog Number:
AG01EHW5
Molecular Formula:
C13H17Cl2N3O
Molecular Weight:
302.1996
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Product Description
Catalog Number:
AG01EHW5
Chemical Name:
3-(piperidin-3-yl)-3,4-dihydroquinazolin-4-one dihydrochloride
CAS Number:
2097936-80-4
Molecular Formula:
C13H17Cl2N3O
Molecular Weight:
302.1996
MDL Number:
MFCD31559951
IUPAC Name:
3-piperidin-3-yl-4aH-quinazolin-3-ium-4-one;dihydrochloride
InChI:
InChI=1S/C13H16N3O.2ClH/c17-13-11-5-1-2-6-12(11)15-9-16(13)10-4-3-7-14-8-10;;/h1-2,5-6,9-11,14H,3-4,7-8H2;2*1H/q+1;;
InChI Key:
JEWSHDJPENPRMH-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2ncn1C1CCCNC1.Cl.Cl
Properties
Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.083g/mol
Formal Charge:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
303.207g/mol
Monoisotopic Mass:
302.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties