2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide

C85H99ClN20O8 — CID 157119887

About 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide

2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 157119887) has the molecular formula C85H99ClN20O8 and a molecular weight of 1564.31 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 157119887
• Molecular Formula: C85H99ClN20O8
• Molecular Weight: 1564.31 g/mol
• Exact Mass: 1562.76
• IUPAC Name: 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCC(N)CC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCNCC1)c1ccccc21.N#Cc1n[nH]c2c1c(=O)n(CCCNC(=O)C(N)Cc1ccc(Cl)cc1)c1ccccc21
• InChI: InChI=1S/C23H21ClN6O2.C21H27N5O2.C21H26N4O2.C20H25N5O2/c24-15-8-6-14(7-9-15)12-17(26)22(31)27-10-3-11-30-19-5-2-1-4-16(19)21-20(23(30)32)18(13-25)28-29-21;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;1-14-18-19(24-23-14)16-10-5-6-11-17(16)25(21(18)27)13-7-12-22-20(26)15-8-3-2-4-9-15;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/h1-2,4-9,17H,3,10-12,26H2,(H,27,31)(H,28,29);2-3,5-6,14-15H,4,7-12,22H2,1H3,(H,23,27)(H,24,25);5-6,10-11,15H,2-4,7-9,12-13H2,1H3,(H,22,26)(H,23,24);2-3,5-6,14,21H,4,7-12H2,1H3,(H,22,26)(H,23,24)
• InChIKey: AHVPEWWGCJEWOL-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 406.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.31
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide (CID 157119887) is 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCC(N)CC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCNCC1)c1ccccc21.N#Cc1n[nH]c2c1c(=O)n(CCCNC(=O)C(N)Cc1ccc(Cl)cc1)c1ccccc21.

What is the InChIKey of 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide?

The InChIKey is AHVPEWWGCJEWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2.C21H27N5O2.C21H26N4O2.C20H25N5O2/c24-15-8-6-14(7-9-15)12-17(26)22(31)27-10-3-11-30-19-5-2-1-4-16(19)21-20(23(30)32)18(13-25)28-29-21;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;1-14-18-19(24-23-14)16-10-5-6-11-17(16)25(21(18)27)13-7-12-22-20(26)15-8-3-2-4-9-15;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/h1-2,4-9,17H,3,10-12,26H2,(H,27,31)(H,28,29);2-3,5-6,14-15H,4,7-12,22H2,1H3,(H,23,27)(H,24,25);5-6,10-11,15H,2-4,7-9,12-13H2,1H3,(H,22,26)(H,23,24);2-3,5-6,14,21H,4,7-12H2,1H3,(H,22,26)(H,23,24).

What are the key properties of 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide?

2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 1564.31 g/mol, XLogP of 9.65, 22 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 157119887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).