200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 827320-78-5
827320-78-5 | Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-1-(1H-pyrrol-2-yl)-
CAS No: 827320-78-5 Catalog No: AG008J64 MDL No:
Product Description
Catalog Number:
AG008J64
Chemical Name:
Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-1-(1H-pyrrol-2-yl)-
CAS Number:
827320-78-5
Molecular Formula:
C20H18N2O
Molecular Weight:
302.3697
IUPAC Name:
phenyl-[1-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
InChI:
InChI=1S/C20H18N2O/c23-20(16-8-2-1-3-9-16)22-14-12-15-7-4-5-10-17(15)19(22)18-11-6-13-21-18/h1-11,13,19,21H,12,14H2
InChI Key:
ONQNXUISHLSBFV-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1c1ccc[nH]1)cccc2)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.377g/mol
Monoisotopic Mass:
302.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
© 2019 Angene International Limited. All rights Reserved.