N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide

C111H113Br4Cl2N21O11 — CID 158774543

About N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide

N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide (PubChem CID 158774543) has the molecular formula C111H113Br4Cl2N21O11 and a molecular weight of 2307.78 g/mol. Its IUPAC name is N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide
• PubChem CID: 158774543
• Molecular Formula: C111H113Br4Cl2N21O11
• Molecular Weight: 2307.78 g/mol
• Exact Mass: 2301.50
• IUPAC Name: N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide
• SMILES: C/C=C\C.COCCc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)Cc1ccccc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccccc21
• InChI: InChI=1S/C23H22BrClN4O3.C22H21BrN4O2.C21H18BrClN4O2.C21H25BrN4O2.C20H19N5O2.C4H8/c1-32-12-9-18-20-21(28-27-18)17-13-15(24)5-8-19(17)29(23(20)31)11-2-10-26-22(30)14-3-6-16(25)7-4-14;1-14-20-21(26-25-14)17-13-16(23)8-9-18(17)27(22(20)29)11-5-10-24-19(28)12-15-6-3-2-4-7-15;1-12-18-19(26-25-12)16-11-14(22)5-8-17(16)27(21(18)29)10-2-9-24-20(28)13-3-6-15(23)7-4-13;1-13-18-19(25-24-13)16-12-15(22)8-9-17(16)26(21(18)28)11-5-10-23-20(27)14-6-3-2-4-7-14;1-13-17-18(24-23-13)15-5-2-3-6-16(15)25(20(17)27)12-4-9-22-19(26)14-7-10-21-11-8-14;1-3-4-2/h3-8,13H,2,9-12H2,1H3,(H,26,30)(H,27,28);2-4,6-9,13H,5,10-12H2,1H3,(H,24,28)(H,25,26);3-8,11H,2,9-10H2,1H3,(H,24,28)(H,25,26);8-9,12,14H,2-7,10-11H2,1H3,(H,23,27)(H,24,25);2-3,5-8,10-11H,4,9,12H2,1H3,(H,22,26)(H,23,24);3-4H,1-2H3/b;;;;;4-3-
• InChIKey: IQHQIJACKUQGMI-NGMZHLGDSA-N
• XLogP: 20.44
• TPSA: 421.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.78
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide?

The IUPAC name of N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide (CID 158774543) is N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide?

The canonical SMILES for N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide is C/C=C\C.COCCc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)Cc1ccccc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccccc21.

What is the InChIKey of N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide?

The InChIKey is IQHQIJACKUQGMI-NGMZHLGDSA-N. The full InChI is InChI=1S/C23H22BrClN4O3.C22H21BrN4O2.C21H18BrClN4O2.C21H25BrN4O2.C20H19N5O2.C4H8/c1-32-12-9-18-20-21(28-27-18)17-13-15(24)5-8-19(17)29(23(20)31)11-2-10-26-22(30)14-3-6-16(25)7-4-14;1-14-20-21(26-25-14)17-13-16(23)8-9-18(17)27(22(20)29)11-5-10-24-19(28)12-15-6-3-2-4-7-15;1-12-18-19(26-25-12)16-11-14(22)5-8-17(16)27(21(18)29)10-2-9-24-20(28)13-3-6-15(23)7-4-13;1-13-18-19(25-24-13)16-12-15(22)8-9-17(16)26(21(18)28)11-5-10-23-20(27)14-6-3-2-4-7-14;1-13-17-18(24-23-13)15-5-2-3-6-16(15)25(20(17)27)12-4-9-22-19(26)14-7-10-21-11-8-14;1-3-4-2/h3-8,13H,2,9-12H2,1H3,(H,26,30)(H,27,28);2-4,6-9,13H,5,10-12H2,1H3,(H,24,28)(H,25,26);3-8,11H,2,9-10H2,1H3,(H,24,28)(H,25,26);8-9,12,14H,2-7,10-11H2,1H3,(H,23,27)(H,24,25);2-3,5-8,10-11H,4,9,12H2,1H3,(H,22,26)(H,23,24);3-4H,1-2H3/b;;;;;4-3-.

What are the key properties of N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide?

N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide has a molecular weight of 2307.78 g/mol, XLogP of 20.44, 29 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 158774543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).