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865658-73-7 | 4-(4-hydroxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS No: 865658-73-7 Catalog No: AG00ITQ5 MDL No:MFCD03787097
Product Description
Catalog Number:
AG00ITQ5
Chemical Name:
4-(4-hydroxyphenyl)-3,7,7-trimethyl-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one
CAS Number:
865658-73-7
Molecular Formula:
C19H21N3O2
Molecular Weight:
323.3889
MDL Number:
MFCD03787097
IUPAC Name:
4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
InChI:
InChI=1S/C19H21N3O2/c1-10-15-16(11-4-6-12(23)7-5-11)17-13(20-18(15)22-21-10)8-19(2,3)9-14(17)24/h4-7,16,23H,8-9H2,1-3H3,(H2,20,21,22)
InChI Key:
QKLKZONYGYBOKZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1C2=C(Nc3c1c(C)[nH]n3)CC(CC2=O)(C)C
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.396g/mol
Monoisotopic Mass:
323.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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