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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-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
SMILESCc1[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
InChIInChI=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)
InChIKeyAHVPEWWGCJEWOL-UHFFFAOYSA-N
MW1564.31 g/mol
LogP9.65
Rot. Bonds22
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).
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Sources
- PubChem CID 157119887 — identifiers, structure, computed properties (public domain)
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