5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

C75H69F3N16O7 — CID 159678174

About 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (PubChem CID 159678174) has the molecular formula C75H69F3N16O7 and a molecular weight of 1363.48 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
• PubChem CID: 159678174
• Molecular Formula: C75H69F3N16O7
• Molecular Weight: 1363.48 g/mol
• Exact Mass: 1362.55
• IUPAC Name: 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(F)cc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cccc(F)c1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1F)c1ccccc21.NCCn1c(=O)c2cn[nH]c2c2ccccc21
• InChI: InChI=1S/3C21H19FN4O2.C12H12N4O/c1-13-18-19(25-24-13)15-8-3-5-10-17(15)26(21(18)28)12-6-11-23-20(27)14-7-2-4-9-16(14)22;1-13-18-19(25-24-13)16-8-2-3-9-17(16)26(21(18)28)11-5-10-23-20(27)14-6-4-7-15(22)12-14;1-13-18-19(25-24-13)16-5-2-3-6-17(16)26(21(18)28)12-4-11-23-20(27)14-7-9-15(22)10-8-14;13-5-6-16-10-4-2-1-3-8(10)11-9(12(16)17)7-14-15-11/h2-5,7-10H,6,11-12H2,1H3,(H,23,27)(H,24,25);2-4,6-9,12H,5,10-11H2,1H3,(H,23,27)(H,24,25);2-3,5-10H,4,11-12H2,1H3,(H,23,27)(H,24,25);1-4,7H,5-6,13H2,(H,14,15)
• InChIKey: MUWLNEOWZIUYMW-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 316.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.48
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?

The IUPAC name of 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (CID 159678174) is 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.

What is the SMILES notation for 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?

The canonical SMILES for 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(F)cc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cccc(F)c1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1F)c1ccccc21.NCCn1c(=O)c2cn[nH]c2c2ccccc21.

What is the InChIKey of 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?

The InChIKey is MUWLNEOWZIUYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H19FN4O2.C12H12N4O/c1-13-18-19(25-24-13)15-8-3-5-10-17(15)26(21(18)28)12-6-11-23-20(27)14-7-2-4-9-16(14)22;1-13-18-19(25-24-13)16-8-2-3-9-17(16)26(21(18)28)11-5-10-23-20(27)14-6-4-7-15(22)12-14;1-13-18-19(25-24-13)16-5-2-3-6-17(16)26(21(18)28)12-4-11-23-20(27)14-7-9-15(22)10-8-14;13-5-6-16-10-4-2-1-3-8(10)11-9(12(16)17)7-14-15-11/h2-5,7-10H,6,11-12H2,1H3,(H,23,27)(H,24,25);2-4,6-9,12H,5,10-11H2,1H3,(H,23,27)(H,24,25);2-3,5-10H,4,11-12H2,1H3,(H,23,27)(H,24,25);1-4,7H,5-6,13H2,(H,14,15).

What are the key properties of 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?

5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide has a molecular weight of 1363.48 g/mol, XLogP of 10.27, 17 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminoethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;2-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is sourced from PubChem (CID 159678174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).