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Home > Indoles and Oxindole > 133040-68-3
133040-68-3 | 4(3H)-Quinazolinone, 2-[2-(1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-
CAS No: 133040-68-3 Catalog No: AG0011KU MDL No:
Product Description
Catalog Number:
AG0011KU
Chemical Name:
4(3H)-Quinazolinone, 2-[2-(1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-
CAS Number:
133040-68-3
Molecular Formula:
C27H25N3O2
Molecular Weight:
423.5063
IUPAC Name:
2-[2-(1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)quinazolin-4-one
InChI:
InChI=1S/C27H25N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-13,16-18,28H,14-15H2,1-2H3
InChI Key:
OYJPMZYYSNIOEL-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)n1c(CCc2c[nH]c3c2cccc3)nc2c(c1=O)cccc2)C
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.195g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.516g/mol
Monoisotopic Mass:
423.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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