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

C86H64BrN15O7 — CID 157277630

IUPAC4-[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
SMILESC=Cc1[nH]ncc1-c1cnc(-c2ccc(O)cc2)cc1Oc1ccc(C#N)cc1.O=C1CCCN1/C=C/C(=N\c1ccc2[nH]ncc2c1)c1ccc(O)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1.[H]/N=C/C=C(\C=C)c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C23H16N4O2.C22H14BrN3O2.C21H16N4O.C20H18N4O2/c1-2-21-19(14-26-27-21)20-13-25-22(16-5-7-17(28)8-6-16)11-23(20)29-18-9-3-15(12-24)4-10-18;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;1-2-13(9-10-22)16-11-20(14-3-5-15(26)6-4-14)24-19-8-7-18-17(21(16)19)12-23-25-18;25-17-6-3-14(4-7-17)18(9-11-24-10-1-2-20(24)26)22-16-5-8-19-15(12-16)13-21-23-19/h2-11,13-14,28H,1H2,(H,26,27);1-12,27H,(H,24,26);2-12,22,26H,1H2,(H,23,25);3-9,11-13,25H,1-2,10H2,(H,21,23)/b;;13-9+,22-10+;11-9+,22-18+
InChIKeyAZHFNSOJAVRKLF-WXQHHECISA-N
MW1499.46 g/mol
LogP19.42
Rot. Bonds16

About 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

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 (PubChem CID 157277630) has the molecular formula C86H64BrN15O7 and a molecular weight of 1499.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157277630
Molecular FormulaC86H64BrN15O7
Molecular Weight1499.46 g/mol
Exact Mass1497.43
IUPAC Name4-[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
SMILESC=Cc1[nH]ncc1-c1cnc(-c2ccc(O)cc2)cc1Oc1ccc(C#N)cc1.O=C1CCCN1/C=C/C(=N\c1ccc2[nH]ncc2c1)c1ccc(O)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1.[H]/N=C/C=C(\C=C)c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C23H16N4O2.C22H14BrN3O2.C21H16N4O.C20H18N4O2/c1-2-21-19(14-26-27-21)20-13-25-22(16-5-7-17(28)8-6-16)11-23(20)29-18-9-3-15(12-24)4-10-18;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;1-2-13(9-10-22)16-11-20(14-3-5-15(26)6-4-14)24-19-8-7-18-17(21(16)19)12-23-25-18;25-17-6-3-14(4-7-17)18(9-11-24-10-1-2-20(24)26)22-16-5-8-19-15(12-16)13-21-23-19/h2-11,13-14,28H,1H2,(H,26,27);1-12,27H,(H,24,26);2-12,22,26H,1H2,(H,23,25);3-9,11-13,25H,1-2,10H2,(H,21,23)/b;;13-9+,22-10+;11-9+,22-18+
InChIKeyAZHFNSOJAVRKLF-WXQHHECISA-N
XLogP19.42
TPSA333.08 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.46
LogP ≤ 519.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1[nH]ncc1-c1cnc(-c2ccc(O)cc2)cc1Oc1ccc(C#N)cc1.O=C1CCCN1/C=C/C(=N\c1ccc2[nH]ncc2c1)c1ccc(O)cc1.Oc1ccc(-c2cc(Oc3ccc(Br)cc3)c3c(ccc4[nH]ncc43)n2)cc1.[H]/N=C/C=C(\C=C)c1cc(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c12.
What is the InChIKey of 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?
The InChIKey is AZHFNSOJAVRKLF-WXQHHECISA-N. The full InChI is InChI=1S/C23H16N4O2.C22H14BrN3O2.C21H16N4O.C20H18N4O2/c1-2-21-19(14-26-27-21)20-13-25-22(16-5-7-17(28)8-6-16)11-23(20)29-18-9-3-15(12-24)4-10-18;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;1-2-13(9-10-22)16-11-20(14-3-5-15(26)6-4-14)24-19-8-7-18-17(21(16)19)12-23-25-18;25-17-6-3-14(4-7-17)18(9-11-24-10-1-2-20(24)26)22-16-5-8-19-15(12-16)13-21-23-19/h2-11,13-14,28H,1H2,(H,26,27);1-12,27H,(H,24,26);2-12,22,26H,1H2,(H,23,25);3-9,11-13,25H,1-2,10H2,(H,21,23)/b;;13-9+,22-10+;11-9+,22-18+.
What are the key properties of 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?
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 has a molecular weight of 1499.46 g/mol, XLogP of 19.42, 16 rotatable bonds, 9 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-[[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 is sourced from PubChem (CID 157277630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).