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866018-96-4 | 4-(3-ethoxy-4-hydroxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 866018-96-4 Catalog No: AG00IU5Y MDL No:MFCD03787134
Product Description
Catalog Number:
AG00IU5Y
Chemical Name:
4-(3-ethoxy-4-hydroxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
866018-96-4
Molecular Formula:
C21H25N3O3
Molecular Weight:
367.4415
MDL Number:
MFCD03787134
IUPAC Name:
4-(3-ethoxy-4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C21H25N3O3/c1-5-27-16-8-12(6-7-14(16)25)18-17-11(2)23-24-20(17)22-13-9-21(3,4)10-15(26)19(13)18/h6-8,18,25H,5,9-10H2,1-4H3,(H2,22,23,24)
InChI Key:
XCNAIYQYAIHNOS-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
367.449g/mol
Monoisotopic Mass:
367.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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