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866018-90-8 | N-(4-{3,7,7-trimethyl-5-oxo-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-4-yl}phenyl)acetamide
CAS No: 866018-90-8 Catalog No: AG00IQBT MDL No:MFCD03787127
Product Description
Catalog Number:
AG00IQBT
Chemical Name:
N-(4-{3,7,7-trimethyl-5-oxo-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-4-yl}phenyl)acetamide
CAS Number:
866018-90-8
Molecular Formula:
C21H24N4O2
Molecular Weight:
364.4409
MDL Number:
MFCD03787127
IUPAC Name:
N-[4-(3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl]acetamide
InChI:
InChI=1S/C21H24N4O2/c1-11-17-18(13-5-7-14(8-6-13)22-12(2)26)19-15(23-20(17)25-24-11)9-21(3,4)10-16(19)27/h5-8,18H,9-10H2,1-4H3,(H,22,26)(H2,23,24,25)
InChI Key:
PICQLLZSJKRXHJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.449g/mol
Monoisotopic Mass:
364.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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