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64439-81-2

64439-81-2 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-, (±)-

CAS No: 64439-81-2 Catalog No: AG00IBD6 MDL No:

Product Description

Catalog Number:
AG00IBD6
Chemical Name:
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-, (±)-
CAS Number:
64439-81-2
Molecular Formula:
C20H16N2O5
Molecular Weight:
364.3514
IUPAC Name:
19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
InChI:
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
InChI Key:
HAWSQZCWOQZXHI-UHFFFAOYSA-N
SMILES:
CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)O

Properties

Complexity:
774  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.106g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
364.357g/mol
Monoisotopic Mass:
364.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

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