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85749-96-8 | 3-Quinolinecarboxamide, 1,2-dihydro-1-(phenylmethyl)-
CAS No: 85749-96-8 Catalog No: AG008GQT MDL No:
Product Description
Catalog Number:
AG008GQT
Chemical Name:
3-Quinolinecarboxamide, 1,2-dihydro-1-(phenylmethyl)-
CAS Number:
85749-96-8
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
1-benzyl-2H-quinoline-3-carboxamide
InChI:
InChI=1S/C17H16N2O/c18-17(20)15-10-14-8-4-5-9-16(14)19(12-15)11-13-6-2-1-3-7-13/h1-10H,11-12H2,(H2,18,20)
InChI Key:
BTGLRZTWAFVWOJ-UHFFFAOYSA-N
SMILES:
NC(=O)C1=Cc2c(N(C1)Cc1ccccc1)cccc2
Properties
Complexity:
385
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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