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439095-18-8

439095-18-8 | 4-(furan-3-yl)-3,7,7-trimethyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one

CAS No: 439095-18-8 Catalog No: AG00IPPL MDL No:MFCD05021860

Product Description

Catalog Number:
AG00IPPL
Chemical Name:
4-(furan-3-yl)-3,7,7-trimethyl-1H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
439095-18-8
Molecular Formula:
C17H19N3O2
Molecular Weight:
297.3517
MDL Number:
MFCD05021860
IUPAC Name:
4-(furan-3-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C17H19N3O2/c1-9-13-14(10-4-5-22-8-10)15-11(18-16(13)20-19-9)6-17(2,3)7-12(15)21/h4-5,8,14H,6-7H2,1-3H3,(H2,18,19,20)
InChI Key:
YQOOTGPVAAPDOA-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(c1ccoc1)c1c(N2)[nH]nc1C

Properties

Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.148g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.358g/mol
Monoisotopic Mass:
297.148g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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