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76379-47-0 | Quinoline, 2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-2-methyl-1-propenyl]-
CAS No: 76379-47-0 Catalog No: AG005LSN MDL No:
Product Description
Catalog Number:
AG005LSN
Chemical Name:
Quinoline, 2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-2-methyl-1-propenyl]-
CAS Number:
76379-47-0
Molecular Formula:
C22H20N2O
Molecular Weight:
328.4070
IUPAC Name:
3-ethyl-2-(2-methyl-3-quinolin-2-ylprop-2-enylidene)-1,3-benzoxazole
InChI:
InChI=1S/C22H20N2O/c1-3-24-20-10-6-7-11-21(20)25-22(24)15-16(2)14-18-13-12-17-8-4-5-9-19(17)23-18/h4-15H,3H2,1-2H3
InChI Key:
IWGWIXRQMPCCBK-UHFFFAOYSA-N
SMILES:
CCn1c(=CC(=Cc2ccc3c(n2)cccc3)C)oc2c1cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.415g/mol
Monoisotopic Mass:
328.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.8
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