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101077-40-1 | 4H,8H-Benzo[b]quino[1,8-gh][1,6]naphthyridine-9-carboxylic acid (9CI)
CAS No: 101077-40-1 Catalog No: AG0003O5 MDL No:
Product Description
Catalog Number:
AG0003O5
Chemical Name:
4H,8H-Benzo[b]quino[1,8-gh][1,6]naphthyridine-9-carboxylic acid (9CI)
CAS Number:
101077-40-1
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
3,13-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,14,17(21),18-nonaene-10-carboxylic acid
InChI:
InChI=1S/C20H14N2O2/c23-20(24)17-13-7-1-2-9-16(13)21-18-14-8-3-5-12-6-4-10-22(19(12)14)11-15(17)18/h1-5,7-10H,6,11H2,(H,23,24)
InChI Key:
DYUYBNKWDQSFAP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2CN3C=CCc4c3c(c2nc2c1cccc2)ccc4
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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