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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

C109H87N19O8 — CID 158537038

About 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol (PubChem CID 158537038) has the molecular formula C109H87N19O8 and a molecular weight of 1791.02 g/mol. Its IUPAC name is 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
• PubChem CID: 158537038
• Molecular Formula: C109H87N19O8
• Molecular Weight: 1791.02 g/mol
• Exact Mass: 1789.70
• IUPAC Name: 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
• SMILES: CN1CCN(c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)CC1.Cc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1C.Oc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(-c3ccncc3)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(N3CCOCC3)c3c(ccc4[nH]ncc43)n2)cc1
• InChI: InChI=1S/C24H19N3O.C23H15N3O3.C21H21N5O.C21H14N4O.C20H18N4O2/c1-14-3-4-17(11-15(14)2)19-12-23(16-5-7-18(28)8-6-16)26-22-10-9-21-20(24(19)22)13-25-27-21;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;1-25-8-10-26(11-9-25)20-12-19(14-2-4-15(27)5-3-14)23-18-7-6-17-16(21(18)20)13-22-24-17;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;25-14-3-1-13(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/h3-13,28H,1-2H3,(H,25,27);1-11,27H,12H2,(H,24,26);2-7,12-13,27H,8-11H2,1H3,(H,22,24);1-12,26H,(H,23,25);1-6,11-12,25H,7-10H2,(H,21,23)
• InChIKey: HOBJNXYGVWBVKW-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 359.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1791.02
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-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 158537038) is 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is CN1CCN(c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)CC1.Cc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)cc1C.Oc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(-c3ccncc3)c3c(ccc4[nH]ncc43)n2)cc1.Oc1ccc(-c2cc(N3CCOCC3)c3c(ccc4[nH]ncc43)n2)cc1.

What is the InChIKey of 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?

The InChIKey is HOBJNXYGVWBVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O.C23H15N3O3.C21H21N5O.C21H14N4O.C20H18N4O2/c1-14-3-4-17(11-15(14)2)19-12-23(16-5-7-18(28)8-6-16)26-22-10-9-21-20(24(19)22)13-25-27-21;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;1-25-8-10-26(11-9-25)20-12-19(14-2-4-15(27)5-3-14)23-18-7-6-17-16(21(18)20)13-22-24-17;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;25-14-3-1-13(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/h3-13,28H,1-2H3,(H,25,27);1-11,27H,12H2,(H,24,26);2-7,12-13,27H,8-11H2,1H3,(H,22,24);1-12,26H,(H,23,25);1-6,11-12,25H,7-10H2,(H,21,23).

What are the key properties of 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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?

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-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol has a molecular weight of 1791.02 g/mol, XLogP of 21.75, 10 rotatable bonds, 10 hydrogen bond donors, and 22 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;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is sourced from PubChem (CID 158537038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).