8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

C94H102FN21O5 — CID 157064486

About 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 157064486) has the molecular formula C94H102FN21O5 and a molecular weight of 1624.99 g/mol. Its IUPAC name is 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 157064486
• Molecular Formula: C94H102FN21O5
• Molecular Weight: 1624.99 g/mol
• Exact Mass: 1623.84
• IUPAC Name: 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CC(C)N1CCN(c2cc(N3CCN(C(C)C)CC3)c3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.Cc1cc2c(cc1N1CCN(C)CC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1cc2c(cc1N1CCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1nc2cc(N3CCOCC3)c(F)cc2c2[nH]n(-c3ccccc3)c(=O)c12
• InChI: InChI=1S/C30H39N7O.C22H23N5O.C21H19FN4O2.C21H21N5O/c1-21(2)33-10-14-35(15-11-33)24-18-25-28-26(30(38)37(32-28)23-8-6-5-7-9-23)20-31-29(25)27(19-24)36-16-12-34(13-17-36)22(3)4;1-15-12-17-19(13-20(15)26-10-8-25(2)9-11-26)23-14-18-21(17)24-27(22(18)28)16-6-4-3-5-7-16;1-13-19-20(24-26(21(19)27)14-5-3-2-4-6-14)15-11-16(22)18(12-17(15)23-13)25-7-9-28-10-8-25;1-14-11-16-18(12-19(14)25-9-7-22-8-10-25)23-13-17-20(16)24-26(21(17)27)15-5-3-2-4-6-15/h5-9,18-22,32H,10-17H2,1-4H3;3-7,12-14,24H,8-11H2,1-2H3;2-6,11-12,24H,7-10H2,1H3;2-6,11-13,22,24H,7-10H2,1H3
• InChIKey: QLWBTJZUFYWCIK-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 249.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.99
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 157064486) is 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is CC(C)N1CCN(c2cc(N3CCN(C(C)C)CC3)c3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.Cc1cc2c(cc1N1CCN(C)CC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1cc2c(cc1N1CCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.Cc1nc2cc(N3CCOCC3)c(F)cc2c2[nH]n(-c3ccccc3)c(=O)c12.

What is the InChIKey of 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is QLWBTJZUFYWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O.C22H23N5O.C21H19FN4O2.C21H21N5O/c1-21(2)33-10-14-35(15-11-33)24-18-25-28-26(30(38)37(32-28)23-8-6-5-7-9-23)20-31-29(25)27(19-24)36-16-12-34(13-17-36)22(3)4;1-15-12-17-19(13-20(15)26-10-8-25(2)9-11-26)23-14-18-21(17)24-27(22(18)28)16-6-4-3-5-7-16;1-13-19-20(24-26(21(19)27)14-5-3-2-4-6-14)15-11-16(22)18(12-17(15)23-13)25-7-9-28-10-8-25;1-14-11-16-18(12-19(14)25-9-7-22-8-10-25)23-13-17-20(16)24-26(21(17)27)15-5-3-2-4-6-15/h5-9,18-22,32H,10-17H2,1-4H3;3-7,12-14,24H,8-11H2,1-2H3;2-6,11-12,24H,7-10H2,1H3;2-6,11-13,22,24H,7-10H2,1H3.

What are the key properties of 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1624.99 g/mol, XLogP of 12.59, 11 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 157064486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).