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6484-23-7 | 4(1H)-Quinazolinone, 2-(4-pyridinyl)-
CAS No: 6484-23-7 Catalog No: AG00IBEU MDL No:MFCD00665826
Product Description
Catalog Number:
AG00IBEU
Chemical Name:
4(1H)-Quinazolinone, 2-(4-pyridinyl)-
CAS Number:
6484-23-7
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
MDL Number:
MFCD00665826
IUPAC Name:
2-pyridin-4-yl-3H-quinazolin-4-one
InChI:
InChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17)
InChI Key:
QYVWMIMELRGQGM-UHFFFAOYSA-N
SMILES:
Oc1nc(nc2c1cccc2)c1ccncc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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