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100880-66-8 | 4(3H)-Quinazolinone, 2-(phenoxymethyl)-
CAS No: 100880-66-8 Catalog No: AG00033B MDL No:
Product Description
Catalog Number:
AG00033B
Chemical Name:
4(3H)-Quinazolinone, 2-(phenoxymethyl)-
CAS Number:
100880-66-8
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-(phenoxymethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChI Key:
SEGUYJLINGHDJK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(COc2ccccc2)nc2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Growth inhibition and apoptosis induced by 2-phenoxymethyl-3H-quinazolin-4-one in HL-60 leukemia cells. | Experimental oncology 20070301 |
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