4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol

C88H85N15O7 — CID 158920461

About 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol

4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol (PubChem CID 158920461) has the molecular formula C88H85N15O7 and a molecular weight of 1464.75 g/mol. Its IUPAC name is 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol.

Molecular Properties

• Compound Name: 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol
• PubChem CID: 158920461
• Molecular Formula: C88H85N15O7
• Molecular Weight: 1464.75 g/mol
• Exact Mass: 1463.68
• IUPAC Name: 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol
• SMILES: C=CC(O)C/C=C/c1cc(-c2ccc(C)c(C)c2)c(C2C=NNC2C=C)cn1.C=Cc1[nH]ncc1-c1cnc(-c2ccc(O)cc2)cc1N1CCN(C)CC1.Oc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(N3CCOCC3)c3c(n2)C=CC2NN=CC32)cc1
• InChI: InChI=1S/C24H27N3O.C23H15N3O3.C21H23N5O.C20H20N4O2/c1-5-20(28)9-7-8-19-13-21(18-11-10-16(3)17(4)12-18)22(14-25-19)23-15-26-27-24(23)6-2;27-15-4-1-13(2-5-15)20-10-16(14-3-8-21-22(9-14)29-12-28-21)23-17-11-24-26-18(17)6-7-19(23)25-20;1-3-19-17(14-23-24-19)18-13-22-20(15-4-6-16(27)7-5-15)12-21(18)26-10-8-25(2)9-11-26;25-14-3-1-13(2-4-14)18-11-19(24-7-9-26-10-8-24)20-15-12-21-23-16(15)5-6-17(20)22-18/h5-8,10-15,20,23-24,27-28H,1-2,9H2,3-4H3;1-11,27H,12H2,(H,24,26);3-7,12-14,27H,1,8-11H2,2H3,(H,23,24);1-6,11-12,15-16,23,25H,7-10H2/b8-7+
• InChIKey: JHTSJCXALYRIEK-SYVONOGFSA-N
• XLogP: 15.02
• TPSA: 276.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1464.75
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol?

The IUPAC name of 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol (CID 158920461) is 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol.

What is the SMILES notation for 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol?

The canonical SMILES for 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol is C=CC(O)C/C=C/c1cc(-c2ccc(C)c(C)c2)c(C2C=NNC2C=C)cn1.C=Cc1[nH]ncc1-c1cnc(-c2ccc(O)cc2)cc1N1CCN(C)CC1.Oc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(N3CCOCC3)c3c(n2)C=CC2NN=CC32)cc1.

What is the InChIKey of 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol?

The InChIKey is JHTSJCXALYRIEK-SYVONOGFSA-N. The full InChI is InChI=1S/C24H27N3O.C23H15N3O3.C21H23N5O.C20H20N4O2/c1-5-20(28)9-7-8-19-13-21(18-11-10-16(3)17(4)12-18)22(14-25-19)23-15-26-27-24(23)6-2;27-15-4-1-13(2-5-15)20-10-16(14-3-8-21-22(9-14)29-12-28-21)23-17-11-24-26-18(17)6-7-19(23)25-20;1-3-19-17(14-23-24-19)18-13-22-20(15-4-6-16(27)7-5-15)12-21(18)26-10-8-25(2)9-11-26;25-14-3-1-13(2-4-14)18-11-19(24-7-9-26-10-8-24)20-15-12-21-23-16(15)5-6-17(20)22-18/h5-8,10-15,20,23-24,27-28H,1-2,9H2,3-4H3;1-11,27H,12H2,(H,24,26);3-7,12-14,27H,1,8-11H2,2H3,(H,23,24);1-6,11-12,15-16,23,25H,7-10H2/b8-7+;;;.

What are the key properties of 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol?

4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol has a molecular weight of 1464.75 g/mol, XLogP of 15.02, 15 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol is sourced from PubChem (CID 158920461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).