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17260-79-6 | 3-Quinolinecarboxamide, 1,4-dihydro-1-(phenylmethyl)-
CAS No: 17260-79-6 Catalog No: AG007VPX MDL No:
Product Description
Catalog Number:
AG007VPX
Chemical Name:
3-Quinolinecarboxamide, 1,4-dihydro-1-(phenylmethyl)-
CAS Number:
17260-79-6
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
1-benzyl-4H-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/h1-9,12H,10-11H2,(H2,18,20)
InChI Key:
MXEBJDRGXJTGOG-UHFFFAOYSA-N
SMILES:
NC(=O)C1=CN(Cc2ccccc2)c2c(C1)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:
2.6
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