6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)

C112H148ClIN30O8 — CID 159499482

About 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)

6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one) (PubChem CID 159499482) has the molecular formula C112H148ClIN30O8 and a molecular weight of 2204.97 g/mol. Its IUPAC name is 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one).

Molecular Properties

• Compound Name: 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
• PubChem CID: 159499482
• Molecular Formula: C112H148ClIN30O8
• Molecular Weight: 2204.97 g/mol
• Exact Mass: 2203.08
• IUPAC Name: 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
• SMILES: Cc1[nH]nc2c1c(=O)n(C)c1c(CCCN)cc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C(=O)NCCCCN(C)C)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C(=O)NCCCN(C)C)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(CCCN3CCCC3)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(CCCN3CCCC3)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(I)ccc21
• InChI: InChI=1S/C21H30N6O2.2C21H29N5O.C20H28N6O2.C15H17ClN4O.C14H15IN4O/c1-14-18-19(25-24-14)16-8-7-15(20(28)23-10-4-5-11-26(2)3)13-17(16)27(21(18)29)12-6-9-22;2*1-15-19-20(24-23-15)17-8-7-16(6-4-12-25-10-2-3-11-25)14-18(17)26(21(19)27)13-5-9-22;1-13-17-18(24-23-13)15-7-6-14(19(27)22-9-5-10-25(2)3)12-16(15)26(20(17)28)11-4-8-21;1-8-12-13(19-18-8)11-7-10(16)6-9(4-3-5-17)14(11)20(2)15(12)21;1-8-12-13(18-17-8)10-4-3-9(15)7-11(10)19(14(12)20)6-2-5-16/h7-8,13H,4-6,9-12,22H2,1-3H3,(H,23,28)(H,24,25);2*7-8,14H,2-6,9-13,22H2,1H3,(H,23,24);6-7,12H,4-5,8-11,21H2,1-3H3,(H,22,27)(H,23,24);6-7H,3-5,17H2,1-2H3,(H,18,19);3-4,7H,2,5-6,16H2,1H3,(H,17,18)
• InChIKey: LZEWNQHFKDBLBA-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 531.36 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.97
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The IUPAC name of 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one) (CID 159499482) is 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one).

What is the SMILES notation for 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The canonical SMILES for 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one) is Cc1[nH]nc2c1c(=O)n(C)c1c(CCCN)cc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C(=O)NCCCCN(C)C)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C(=O)NCCCN(C)C)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(CCCN3CCCC3)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(CCCN3CCCC3)ccc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(I)ccc21.

What is the InChIKey of 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The InChIKey is LZEWNQHFKDBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.2C21H29N5O.C20H28N6O2.C15H17ClN4O.C14H15IN4O/c1-14-18-19(25-24-14)16-8-7-15(20(28)23-10-4-5-11-26(2)3)13-17(16)27(21(18)29)12-6-9-22;2*1-15-19-20(24-23-15)17-8-7-16(6-4-12-25-10-2-3-11-25)14-18(17)26(21(19)27)13-5-9-22;1-13-17-18(24-23-13)15-7-6-14(19(27)22-9-5-10-25(2)3)12-16(15)26(20(17)28)11-4-8-21;1-8-12-13(19-18-8)11-7-10(16)6-9(4-3-5-17)14(11)20(2)15(12)21;1-8-12-13(18-17-8)10-4-3-9(15)7-11(10)19(14(12)20)6-2-5-16/h7-8,13H,4-6,9-12,22H2,1-3H3,(H,23,28)(H,24,25);2*7-8,14H,2-6,9-13,22H2,1H3,(H,23,24);6-7,12H,4-5,8-11,21H2,1-3H3,(H,22,27)(H,23,24);6-7H,3-5,17H2,1-2H3,(H,18,19);3-4,7H,2,5-6,16H2,1H3,(H,17,18).

What are the key properties of 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one) has a molecular weight of 2204.97 g/mol, XLogP of 12.36, 37 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one) is sourced from PubChem (CID 159499482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).