5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C93H110Cl2N20O10 — CID 159845480

About 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159845480) has the molecular formula C93H110Cl2N20O10 and a molecular weight of 1738.94 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 159845480
• Molecular Formula: C93H110Cl2N20O10
• Molecular Weight: 1738.94 g/mol
• Exact Mass: 1736.81
• IUPAC Name: 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: C#Cc1ccc2c(c1)c1n[nH]c(CC)c1c(=O)n2CCCN.CCc1ccc2c(c1)c1n[nH]c(CCO)c1c(=O)n2CCCO.COCCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21.NCCCn1c(=O)c2c(CCOCc3ccccc3)[nH]nc2c2cc(Cl)ccc21
• InChI: InChI=1S/C22H23ClN4O2.C20H27N5O2.C17H21ClN4O2.C17H18N4O.C17H21N3O3/c23-16-7-8-19-17(13-16)21-20(22(28)27(19)11-4-10-24)18(25-26-21)9-12-29-14-15-5-2-1-3-6-15;1-27-12-7-16-18-19(23-22-16)15-13-14(24-9-2-3-10-24)5-6-17(15)25(20(18)26)11-4-8-21;1-24-9-2-4-13-15-16(21-20-13)12-10-11(18)5-6-14(12)22(17(15)23)8-3-7-19;1-3-11-6-7-14-12(10-11)16-15(13(4-2)19-20-16)17(22)21(14)9-5-8-18;1-2-11-4-5-14-12(10-11)16-15(13(6-9-22)18-19-16)17(23)20(14)7-3-8-21/h1-3,5-8,13H,4,9-12,14,24H2,(H,25,26);5-6,13H,2-4,7-12,21H2,1H3,(H,22,23);5-6,10H,2-4,7-9,19H2,1H3,(H,20,21);1,6-7,10H,4-5,8-9,18H2,2H3,(H,19,20);4-5,10,21-22H,2-3,6-9H2,1H3,(H,18,19)
• InChIKey: NPFWKHGXCUZOPN-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 428.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1738.94
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159845480) is 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one is C#Cc1ccc2c(c1)c1n[nH]c(CC)c1c(=O)n2CCCN.CCc1ccc2c(c1)c1n[nH]c(CCO)c1c(=O)n2CCCO.COCCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21.NCCCn1c(=O)c2c(CCOCc3ccccc3)[nH]nc2c2cc(Cl)ccc21.

What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is NPFWKHGXCUZOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2.C20H27N5O2.C17H21ClN4O2.C17H18N4O.C17H21N3O3/c23-16-7-8-19-17(13-16)21-20(22(28)27(19)11-4-10-24)18(25-26-21)9-12-29-14-15-5-2-1-3-6-15;1-27-12-7-16-18-19(23-22-16)15-13-14(24-9-2-3-10-24)5-6-17(15)25(20(18)26)11-4-8-21;1-24-9-2-4-13-15-16(21-20-13)12-10-11(18)5-6-14(12)22(17(15)23)8-3-7-19;1-3-11-6-7-14-12(10-11)16-15(13(4-2)19-20-16)17(22)21(14)9-5-8-18;1-2-11-4-5-14-12(10-11)16-15(13(6-9-22)18-19-16)17(23)20(14)7-3-8-21/h1-3,5-8,13H,4,9-12,14,24H2,(H,25,26);5-6,13H,2-4,7-12,21H2,1H3,(H,22,23);5-6,10H,2-4,7-9,19H2,1H3,(H,20,21);1,6-7,10H,4-5,8-9,18H2,2H3,(H,19,20);4-5,10,21-22H,2-3,6-9H2,1H3,(H,18,19).

What are the key properties of 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1738.94 g/mol, XLogP of 11.24, 32 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-chloro-3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-phenylmethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-ethynyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159845480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).