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Home > Indoles and Oxindole > 88514-39-0
88514-39-0 | 4(3H)-Quinazolinone, 3-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]-
CAS No: 88514-39-0 Catalog No: AG0048JY MDL No:
Product Description
Catalog Number:
AG0048JY
Chemical Name:
4(3H)-Quinazolinone, 3-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]-
CAS Number:
88514-39-0
Molecular Formula:
C24H19N3O
Molecular Weight:
365.4272
IUPAC Name:
3-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
InChI:
InChI=1S/C24H19N3O/c1-16-10-12-17(13-11-16)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:
QSXHHHDQZMIETR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]c2c(c1Cn1cnc3c(c1=O)cccc3)cccc2
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.436g/mol
Monoisotopic Mass:
365.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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