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Home > Indoles and Oxindole > 88514-43-6
88514-43-6 | 4(3H)-Quinazolinone, 3-[[2-(4-ethylphenyl)-1H-indol-3-yl]methyl]-
CAS No: 88514-43-6 Catalog No: AG00489B MDL No:
Product Description
Catalog Number:
AG00489B
Chemical Name:
4(3H)-Quinazolinone, 3-[[2-(4-ethylphenyl)-1H-indol-3-yl]methyl]-
CAS Number:
88514-43-6
Molecular Formula:
C25H21N3O
Molecular Weight:
379.4537
IUPAC Name:
3-[[2-(4-ethylphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
InChI:
InChI=1S/C25H21N3O/c1-2-17-11-13-18(14-12-17)24-21(19-7-3-6-10-23(19)27-24)15-28-16-26-22-9-5-4-8-20(22)25(28)29/h3-14,16,27H,2,15H2,1H3
InChI Key:
HGRYPMGBXPNEQZ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1[nH]c2c(c1Cn1cnc3c(c1=O)cccc3)cccc2
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.463g/mol
Monoisotopic Mass:
379.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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