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Home > Indoles and Oxindole > 88514-40-3
88514-40-3 | 4(3H)-Quinazolinone, 3-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]-
CAS No: 88514-40-3 Catalog No: AG0048U7 MDL No:
Product Description
Catalog Number:
AG0048U7
Chemical Name:
4(3H)-Quinazolinone, 3-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]-
CAS Number:
88514-40-3
Molecular Formula:
C24H19N3O2
Molecular Weight:
381.4266
IUPAC Name:
3-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
InChI:
InChI=1S/C24H19N3O2/c1-29-17-12-10-16(11-13-17)23-20(18-6-2-5-9-22(18)26-23)14-27-15-25-21-8-4-3-7-19(21)24(27)28/h2-13,15,26H,14H2,1H3
InChI Key:
AGZAZHDQEFSWGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c2c(c1Cn1cnc3c(c1=O)cccc3)cccc2
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.148g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.435g/mol
Monoisotopic Mass:
381.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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