3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile

C76H89Cl4N21O5 — CID 159324331

About 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile

3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile (PubChem CID 159324331) has the molecular formula C76H89Cl4N21O5 and a molecular weight of 1518.50 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile.

Molecular Properties

• Compound Name: 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile
• PubChem CID: 159324331
• Molecular Formula: C76H89Cl4N21O5
• Molecular Weight: 1518.50 g/mol
• Exact Mass: 1515.61
• IUPAC Name: 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile
• SMILES: CN(C)CCCn1c(=O)c2c(CC#N)[nH]nc2c2cc(Cl)ccc21.CN(C)CCCn1c(=O)c2c(CCN)[nH]nc2c2cc(Cl)ccc21.CN(C)CCc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(Cc3cnccn3)[nH]nc2c2cc(Cl)ccc21
• InChI: InChI=1S/C24H32ClN5O2.C18H17ClN6O.C17H22ClN5O.C17H18ClN5O/c1-29(2)14-11-19-21-22(28-27-19)18-15-17(25)9-10-20(18)30(24(21)32)13-6-12-26-23(31)16-7-4-3-5-8-16;19-11-2-3-15-13(8-11)17-16(18(26)25(15)7-1-4-20)14(23-24-17)9-12-10-21-5-6-22-12;2*1-22(2)8-3-9-23-14-5-4-11(18)10-12(14)16-15(17(23)24)13(6-7-19)20-21-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,26,31)(H,27,28);2-3,5-6,8,10H,1,4,7,9,20H2,(H,23,24);4-5,10H,3,6-9,19H2,1-2H3,(H,20,21);4-5,10H,3,6,8-9H2,1-2H3,(H,20,21)
• InChIKey: LEDXUBWVSNGUAL-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 343.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.50
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile?

The IUPAC name of 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile (CID 159324331) is 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile.

What is the SMILES notation for 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile?

The canonical SMILES for 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile is CN(C)CCCn1c(=O)c2c(CC#N)[nH]nc2c2cc(Cl)ccc21.CN(C)CCCn1c(=O)c2c(CCN)[nH]nc2c2cc(Cl)ccc21.CN(C)CCc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CCCCC1)c1ccc(Cl)cc21.NCCCn1c(=O)c2c(Cc3cnccn3)[nH]nc2c2cc(Cl)ccc21.

What is the InChIKey of 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile?

The InChIKey is LEDXUBWVSNGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2.C18H17ClN6O.C17H22ClN5O.C17H18ClN5O/c1-29(2)14-11-19-21-22(28-27-19)18-15-17(25)9-10-20(18)30(24(21)32)13-6-12-26-23(31)16-7-4-3-5-8-16;19-11-2-3-15-13(8-11)17-16(18(26)25(15)7-1-4-20)14(23-24-17)9-12-10-21-5-6-22-12;2*1-22(2)8-3-9-23-14-5-4-11(18)10-12(14)16-15(17(23)24)13(6-7-19)20-21-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,26,31)(H,27,28);2-3,5-6,8,10H,1,4,7,9,20H2,(H,23,24);4-5,10H,3,6-9,19H2,1-2H3,(H,20,21);4-5,10H,3,6,8-9H2,1-2H3,(H,20,21).

What are the key properties of 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile?

3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile has a molecular weight of 1518.50 g/mol, XLogP of 10.52, 24 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminoethyl)-8-chloro-5-[3-(dimethylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(pyrazin-2-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-chloro-3-[2-(dimethylamino)ethyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]cyclohexanecarboxamide;2-[8-chloro-5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetonitrile is sourced from PubChem (CID 159324331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).