5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C84H104Cl4N22O8 — CID 159394236

About 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159394236) has the molecular formula C84H104Cl4N22O8 and a molecular weight of 1691.71 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 159394236
• Molecular Formula: C84H104Cl4N22O8
• Molecular Weight: 1691.71 g/mol
• Exact Mass: 1688.72
• IUPAC Name: 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: CCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CN(C)CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(CCN3CCCCC3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2ccccc21
• InChI: InChI=1S/C20H26ClN5O.C17H22ClN5O.C17H21ClN4O2.C15H17ClN4O2.C15H18N4O2/c21-14-5-6-17-15(13-14)19-18(20(27)26(17)11-4-8-22)16(23-24-19)7-12-25-9-2-1-3-10-25;1-22(2)9-6-13-15-16(21-20-13)12-10-11(18)4-5-14(12)23(17(15)24)8-3-7-19;1-2-24-9-6-13-15-16(21-20-13)12-10-11(18)4-5-14(12)22(17(15)23)8-3-7-19;16-9-2-3-12-10(8-9)14-13(11(4-7-21)18-19-14)15(22)20(12)6-1-5-17;16-7-3-8-19-12-5-2-1-4-10(12)14-13(15(19)21)11(6-9-20)17-18-14/h5-6,13H,1-4,7-12,22H2,(H,23,24);4-5,10H,3,6-9,19H2,1-2H3,(H,20,21);4-5,10H,2-3,6-9,19H2,1H3,(H,20,21);2-3,8,21H,1,4-7,17H2,(H,18,19);1-2,4-5,20H,3,6-9,16H2,(H,17,18)
• InChIKey: LMMXGYKHQHXFQL-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 439.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1691.71
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159394236) is 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is CCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CN(C)CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(CCN3CCCCC3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2ccccc21.

What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is LMMXGYKHQHXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O.C17H22ClN5O.C17H21ClN4O2.C15H17ClN4O2.C15H18N4O2/c21-14-5-6-17-15(13-14)19-18(20(27)26(17)11-4-8-22)16(23-24-19)7-12-25-9-2-1-3-10-25;1-22(2)9-6-13-15-16(21-20-13)12-10-11(18)4-5-14(12)23(17(15)24)8-3-7-19;1-2-24-9-6-13-15-16(21-20-13)12-10-11(18)4-5-14(12)22(17(15)23)8-3-7-19;16-9-2-3-12-10(8-9)14-13(11(4-7-21)18-19-14)15(22)20(12)6-1-5-17;16-7-3-8-19-12-5-2-1-4-10(12)14-13(15(19)21)11(6-9-20)17-18-14/h5-6,13H,1-4,7-12,22H2,(H,23,24);4-5,10H,3,6-9,19H2,1-2H3,(H,20,21);4-5,10H,2-3,6-9,19H2,1H3,(H,20,21);2-3,8,21H,1,4-7,17H2,(H,18,19);1-2,4-5,20H,3,6-9,16H2,(H,17,18).

What are the key properties of 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1691.71 g/mol, XLogP of 9.53, 29 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159394236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).