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865658-70-4 | 4-(2H-1,3-benzodioxol-5-yl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 865658-70-4 Catalog No: AG00IPRJ MDL No:MFCD03787093
Product Description
Catalog Number:
AG00IPRJ
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
865658-70-4
Molecular Formula:
C20H21N3O3
Molecular Weight:
351.3990
MDL Number:
MFCD03787093
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C20H21N3O3/c1-10-16-17(11-4-5-14-15(6-11)26-9-25-14)18-12(21-19(16)23-22-10)7-20(2,3)8-13(18)24/h4-6,17H,7-9H2,1-3H3,(H2,21,22,23)
InChI Key:
BEOOLTINJRWUPV-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1C(c1ccc3c(c1)OCO3)c1c(N2)n[nH]c1C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.406g/mol
Monoisotopic Mass:
351.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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