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1823194-78-0 | (2E)-1-(pyridin-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)prop-2-en-1-one
CAS No: 1823194-78-0 Catalog No: AG00IYLD MDL No:MFCD02187205
Product Description
Catalog Number:
AG00IYLD
Chemical Name:
(2E)-1-(pyridin-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)prop-2-en-1-one
CAS Number:
1823194-78-0
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
MDL Number:
MFCD02187205
IUPAC Name:
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-pyridin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C17H16N2O/c20-17(16-7-3-4-10-18-16)9-12-19-11-8-14-5-1-2-6-15(14)13-19/h1-7,9-10,12H,8,11,13H2
InChI Key:
QFKQVAWNIDKMEB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)/C=C/N1CCc2c(C1)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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