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866018-94-2 | 4-(2-methoxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 866018-94-2 Catalog No: AG00IPF5 MDL No:MFCD03787131
Product Description
Catalog Number:
AG00IPF5
Chemical Name:
4-(2-methoxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
866018-94-2
Molecular Formula:
C20H23N3O2
Molecular Weight:
337.4155
MDL Number:
MFCD03787131
IUPAC Name:
4-(2-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
InChI Key:
KYFJPYWXCUCRPE-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.423g/mol
Monoisotopic Mass:
337.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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