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81751-09-9 | Benzo[c][2,7]naphthyridin-4(3H)-one, 5-(3,4-dimethoxyphenyl)-, 6-oxide
CAS No: 81751-09-9 Catalog No: AG00517W MDL No:
Product Description
Catalog Number:
AG00517W
Chemical Name:
Benzo[c][2,7]naphthyridin-4(3H)-one, 5-(3,4-dimethoxyphenyl)-, 6-oxide
CAS Number:
81751-09-9
Molecular Formula:
C20H16N2O4
Molecular Weight:
348.3520
IUPAC Name:
5-(3,4-dimethoxyphenyl)-6-hydroxybenzo[f][2,7]naphthyridin-4-one
InChI:
InChI=1S/C20H16N2O4/c1-25-16-8-7-12(11-17(16)26-2)19-18-14(9-10-21-20(18)23)13-5-3-4-6-15(13)22(19)24/h3-11,24H,1-2H3
InChI Key:
KXYDOIFSEKITKF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1[n+]([O-])c2ccccc2c2c1c(=O)[nH]cc2
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.358g/mol
Monoisotopic Mass:
348.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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