8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine

C88H106Cl5N25O8 — CID 160885143

About 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine

8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine (PubChem CID 160885143) has the molecular formula C88H106Cl5N25O8 and a molecular weight of 1819.25 g/mol. Its IUPAC name is 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

• Compound Name: 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine
• PubChem CID: 160885143
• Molecular Formula: C88H106Cl5N25O8
• Molecular Weight: 1819.25 g/mol
• Exact Mass: 1815.71
• IUPAC Name: 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine
• SMILES: CCCNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CCC(O)CNC(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC(O)Cn1ccnc1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN=C(N(C)C)N(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN=C(N)N)c1ccc(Cl)cc21
• InChI: InChI=1S/C19H25ClN6O.C18H18ClN5O2.2C18H23ClN4O2.C15H17ClN6O/c1-12-16-17(23-22-12)14-11-13(20)7-8-15(14)26(18(16)27)10-6-9-21-19(24(2)3)25(4)5;1-11-16-17(22-21-11)14-8-12(19)2-3-15(14)24(18(16)26)6-4-13(25)9-23-7-5-20-10-23;1-10(2)20-9-13(24)6-7-23-15-5-4-12(19)8-14(15)17-16(18(23)25)11(3)21-22-17;1-3-7-20-10-13(24)6-8-23-15-5-4-12(19)9-14(15)17-16(18(23)25)11(2)21-22-17;1-8-12-13(21-20-8)10-7-9(16)3-4-11(10)22(14(12)23)6-2-5-19-15(17)18/h7-8,11H,6,9-10H2,1-5H3,(H,22,23);2-3,5,7-8,10,13,25H,4,6,9H2,1H3,(H,21,22);4-5,8,10,13,20,24H,6-7,9H2,1-3H3,(H,21,22);4-5,9,13,20,24H,3,6-8,10H2,1-2H3,(H,21,22);3-4,7H,2,5-6H2,1H3,(H,20,21)(H4,17,18,19)
• InChIKey: SNNQJSPBACLKNG-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 439.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.25
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine?

The IUPAC name of 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine (CID 160885143) is 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine.

What is the SMILES notation for 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine?

The canonical SMILES for 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine is CCCNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CCC(O)CNC(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC(O)Cn1ccnc1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN=C(N(C)C)N(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN=C(N)N)c1ccc(Cl)cc21.

What is the InChIKey of 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine?

The InChIKey is SNNQJSPBACLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O.C18H18ClN5O2.2C18H23ClN4O2.C15H17ClN6O/c1-12-16-17(23-22-12)14-11-13(20)7-8-15(14)26(18(16)27)10-6-9-21-19(24(2)3)25(4)5;1-11-16-17(22-21-11)14-8-12(19)2-3-15(14)24(18(16)26)6-4-13(25)9-23-7-5-20-10-23;1-10(2)20-9-13(24)6-7-23-15-5-4-12(19)8-14(15)17-16(18(23)25)11(3)21-22-17;1-3-7-20-10-13(24)6-8-23-15-5-4-12(19)9-14(15)17-16(18(23)25)11(2)21-22-17;1-8-12-13(21-20-8)10-7-9(16)3-4-11(10)22(14(12)23)6-2-5-19-15(17)18/h7-8,11H,6,9-10H2,1-5H3,(H,22,23);2-3,5,7-8,10,13,25H,4,6,9H2,1H3,(H,21,22);4-5,8,10,13,20,24H,6-7,9H2,1-3H3,(H,21,22);4-5,9,13,20,24H,3,6-8,10H2,1-2H3,(H,21,22);3-4,7H,2,5-6H2,1H3,(H,20,21)(H4,17,18,19).

What are the key properties of 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine?

8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 1819.25 g/mol, XLogP of 11.88, 26 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 160885143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).