5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one

C116H138Cl3N29O8 — CID 157451781

About 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 157451781) has the molecular formula C116H138Cl3N29O8 and a molecular weight of 2172.93 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 157451781
• Molecular Formula: C116H138Cl3N29O8
• Molecular Weight: 2172.93 g/mol
• Exact Mass: 2170.03
• IUPAC Name: 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCC3)cc21.CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCCN3CCCC3)cc21.CCc1[nH]nc2c1c(=O)n(CCCNC)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(-c3cnccn3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(C3CCOC3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2cc(C#CCN3CCCC3)ccc21
• InChI: InChI=1S/C22H27N5O2.C22H31N5O.C22H27N5O.C17H15ClN6O.C17H19ClN4O2.C16H19ClN4O/c23-9-4-13-27-19-7-6-16(5-3-12-26-10-1-2-11-26)15-17(19)21-20(22(27)29)18(8-14-28)24-25-21;2*1-2-18-20-21(25-24-18)17-15-16(7-5-13-26-11-3-4-12-26)8-9-19(17)27(22(20)28)14-6-10-23;18-10-2-3-13-11(8-10)15-14(17(25)24(13)7-1-4-19)16(23-22-15)12-9-20-5-6-21-12;18-11-2-3-13-12(8-11)16-14(17(23)22(13)6-1-5-19)15(20-21-16)10-4-7-24-9-10;1-3-12-14-15(20-19-12)11-9-10(17)5-6-13(11)21(16(14)22)8-4-7-18-2/h6-7,15,28H,1-2,4,8-14,23H2,(H,24,25);8-9,15H,2-7,10-14,23H2,1H3,(H,24,25);8-9,15H,2-4,6,10-14,23H2,1H3,(H,24,25);2-3,5-6,8-9H,1,4,7,19H2,(H,22,23);2-3,8,10H,1,4-7,9,19H2,(H,20,21);5-6,9,18H,3-4,7-8H2,1-2H3,(H,19,20)
• InChIKey: BSWRFKAYXLDOIE-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 511.17 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.93
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one (CID 157451781) is 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one is CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCC3)cc21.CCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCCN3CCCC3)cc21.CCc1[nH]nc2c1c(=O)n(CCCNC)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(-c3cnccn3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(C3CCOC3)[nH]nc2c2cc(Cl)ccc21.NCCCn1c(=O)c2c(CCO)[nH]nc2c2cc(C#CCN3CCCC3)ccc21.

What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is BSWRFKAYXLDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.C22H31N5O.C22H27N5O.C17H15ClN6O.C17H19ClN4O2.C16H19ClN4O/c23-9-4-13-27-19-7-6-16(5-3-12-26-10-1-2-11-26)15-17(19)21-20(22(27)29)18(8-14-28)24-25-21;2*1-2-18-20-21(25-24-18)17-15-16(7-5-13-26-11-3-4-12-26)8-9-19(17)27(22(20)28)14-6-10-23;18-10-2-3-13-11(8-10)15-14(17(25)24(13)7-1-4-19)16(23-22-15)12-9-20-5-6-21-12;18-11-2-3-13-12(8-11)16-14(17(23)22(13)6-1-5-19)15(20-21-16)10-4-7-24-9-10;1-3-12-14-15(20-19-12)11-9-10(17)5-6-13(11)21(16(14)22)8-4-7-18-2/h6-7,15,28H,1-2,4,8-14,23H2,(H,24,25);8-9,15H,2-7,10-14,23H2,1H3,(H,24,25);8-9,15H,2-4,6,10-14,23H2,1H3,(H,24,25);2-3,5-6,8-9H,1,4,7,19H2,(H,22,23);2-3,8,10H,1,4-7,9,19H2,(H,20,21);5-6,9,18H,3-4,7-8H2,1-2H3,(H,19,20).

What are the key properties of 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 2172.93 g/mol, XLogP of 13.69, 32 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 157451781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).