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Home > Quinoline > 947018-31-7
947018-31-7 | 3-(anilinomethyl)-7-methoxyquinolin-2(1H)-one
CAS No: 947018-31-7 Catalog No: AG00IIGJ MDL No:MFCD11048615
Product Description
Catalog Number:
AG00IIGJ
Chemical Name:
3-(anilinomethyl)-7-methoxyquinolin-2(1H)-one
CAS Number:
947018-31-7
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
MDL Number:
MFCD11048615
IUPAC Name:
3-(anilinomethyl)-7-methoxy-1H-quinolin-2-one
InChI:
InChI=1S/C17H16N2O2/c1-21-15-8-7-12-9-13(17(20)19-16(12)10-15)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20)
InChI Key:
PIISNZVHWGNMMP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(=O)c(c2)CNc1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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