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Home > Indoles and Oxindole > 69423-29-6
69423-29-6 | 4(1H)-Quinazolinone, 2-(1H-indol-2-yl)-
CAS No: 69423-29-6 Catalog No: AG006E8Q MDL No:
Product Description
Catalog Number:
AG006E8Q
Chemical Name:
4(1H)-Quinazolinone, 2-(1H-indol-2-yl)-
CAS Number:
69423-29-6
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
2-(1H-indol-2-yl)-3H-quinazolin-4-one
InChI:
InChI=1S/C16H11N3O/c20-16-11-6-2-4-8-13(11)18-15(19-16)14-9-10-5-1-3-7-12(10)17-14/h1-9,17H,(H,18,19,20)
InChI Key:
NOYLDBWRPNNZRK-UHFFFAOYSA-N
SMILES:
O=c1nc([nH]c2c1cccc2)c1cc2c([nH]1)cccc2
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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