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Home > Indoles and Oxindole > 88514-37-8
88514-37-8 | 4(3H)-Quinazolinone, 3-(1H-indol-3-ylmethyl)-
CAS No: 88514-37-8 Catalog No: AG0048U8 MDL No:
Product Description
Catalog Number:
AG0048U8
Chemical Name:
4(3H)-Quinazolinone, 3-(1H-indol-3-ylmethyl)-
CAS Number:
88514-37-8
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
3-(1H-indol-3-ylmethyl)quinazolin-4-one
InChI:
InChI=1S/C17H13N3O/c21-17-14-6-2-4-8-16(14)19-11-20(17)10-12-9-18-15-7-3-1-5-13(12)15/h1-9,11,18H,10H2
InChI Key:
FWIDZNGJFPFTJD-UHFFFAOYSA-N
SMILES:
O=c1n(cnc2c1cccc2)Cc1c[nH]c2c1cccc2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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