4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

C86H58BrN15O7 — CID 163545349

IUPAC4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
SMILESN#Cc1ccc(Oc2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1.O=C1CCCN1c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12.Oc1ccc(-c2cc(-c3ccncc3)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1
InChIInChI=1S/C23H14N4O2.C22H14BrN3O2.C21H14N4O.C20H16N4O2/c24-12-14-1-7-17(8-2-14)29-22-11-21(15-3-5-16(28)6-4-15)26-20-10-9-19-18(23(20)22)13-25-27-19;23-14-3-7-16(8-4-14)28-21-11-20(13-1-5-15(27)6-2-13)25-19-10-9-18-17(22(19)21)12-24-26-18;26-15-3-1-14(2-4-15)20-11-16(13-7-9-22-10-8-13)21-17-12-23-25-18(17)5-6-19(21)24-20;25-13-5-3-12(4-6-13)17-10-18(24-9-1-2-19(24)26)20-14-11-21-23-15(14)7-8-16(20)22-17/h1-11,13,28H,(H,25,27);1-12,27H,(H,24,26);1-12,26H,(H,23,25);3-8,10-11,25H,1-2,9H2,(H,21,23)
InChIKeyFEPAOHFXOMJREM-UHFFFAOYSA-N
MW1493.41 g/mol
LogP19.34
Rot. Bonds10

About 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol (PubChem CID 163545349) has the molecular formula C86H58BrN15O7 and a molecular weight of 1493.41 g/mol. Its IUPAC name is 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol.

Molecular Properties

Compound Name4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
PubChem CID163545349
Molecular FormulaC86H58BrN15O7
Molecular Weight1493.41 g/mol
Exact Mass1491.38
IUPAC Name4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
SMILESN#Cc1ccc(Oc2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1.O=C1CCCN1c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12.Oc1ccc(-c2cc(-c3ccncc3)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1
InChIInChI=1S/C23H14N4O2.C22H14BrN3O2.C21H14N4O.C20H16N4O2/c24-12-14-1-7-17(8-2-14)29-22-11-21(15-3-5-16(28)6-4-15)26-20-10-9-19-18(23(20)22)13-25-27-19;23-14-3-7-16(8-4-14)28-21-11-20(13-1-5-15(27)6-2-13)25-19-10-9-18-17(22(19)21)12-24-26-18;26-15-3-1-14(2-4-15)20-11-16(13-7-9-22-10-8-13)21-17-12-23-25-18(17)5-6-19(21)24-20;25-13-5-3-12(4-6-13)17-10-18(24-9-1-2-19(24)26)20-14-11-21-23-15(14)7-8-16(20)22-17/h1-11,13,28H,(H,25,27);1-12,27H,(H,24,26);1-12,26H,(H,23,25);3-8,10-11,25H,1-2,9H2,(H,21,23)
InChIKeyFEPAOHFXOMJREM-UHFFFAOYSA-N
XLogP19.34
TPSA322.65 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001493.41
LogP ≤ 519.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol with MolForge

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Related Compounds

4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[5-(5-ethenyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)-4-pyridinyl]oxy]benzonitrile;1-[(E)-3-(4-hydroxyphenyl)-3-(1H-indazol-5-ylimino)prop-1-enyl]pyrrolidin-2-one;4-[9-[(3E)-5-iminopenta-1,3-dien-3-yl]-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol
CID 157277630
9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(3-methoxy-4,5-dimethylphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;4-[[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
CID 157618114
7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol
CID 158687587
4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[1-[3-(2-hydroxyethyl)-3H-pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carbonitrile
CID 160014568
7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol
CID 163828067
4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[1-[3-(2-hydroxyethyl)-1,2-dihydrotriazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carbonitrile;2-[5-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-1,2-dihydrotriazol-3-yl]acetic acid;methane
CID 164097205
4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;methane;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
CID 164170683

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The IUPAC name of 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol (CID 163545349) is 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol.
What is the SMILES notation for 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The canonical SMILES for 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is N#Cc1ccc(Oc2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1.O=C1CCCN1c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12.Oc1ccc(-c2cc(-c3ccncc3)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1.
What is the InChIKey of 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The InChIKey is FEPAOHFXOMJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O2.C22H14BrN3O2.C21H14N4O.C20H16N4O2/c24-12-14-1-7-17(8-2-14)29-22-11-21(15-3-5-16(28)6-4-15)26-20-10-9-19-18(23(20)22)13-25-27-19;23-14-3-7-16(8-4-14)28-21-11-20(13-1-5-15(27)6-2-13)25-19-10-9-18-17(22(19)21)12-24-26-18;26-15-3-1-14(2-4-15)20-11-16(13-7-9-22-10-8-13)21-17-12-23-25-18(17)5-6-19(21)24-20;25-13-5-3-12(4-6-13)17-10-18(24-9-1-2-19(24)26)20-14-11-21-23-15(14)7-8-16(20)22-17/h1-11,13,28H,(H,25,27);1-12,27H,(H,24,26);1-12,26H,(H,23,25);3-8,10-11,25H,1-2,9H2,(H,21,23).
What are the key properties of 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol has a molecular weight of 1493.41 g/mol, XLogP of 19.34, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-bromophenoxy)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;1-[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]pyrrolidin-2-one;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is sourced from PubChem (CID 163545349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).