5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C90H115Cl5N20O9 — CID 161451991

About 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 161451991) has the molecular formula C90H115Cl5N20O9 and a molecular weight of 1798.31 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 161451991
• Molecular Formula: C90H115Cl5N20O9
• Molecular Weight: 1798.31 g/mol
• Exact Mass: 1794.76
• IUPAC Name: 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: CC(C)CCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CC(C)c1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CCCCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CCCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COC(C)Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
• InChI: InChI=1S/C20H27ClN4O2.C19H25ClN4O2.C18H23ClN4O2.C17H21ClN4O2.C16H19ClN4O/c1-13(2)6-10-27-11-7-16-18-19(24-23-16)15-12-14(21)4-5-17(15)25(20(18)26)9-3-8-22;1-2-3-10-26-11-7-15-17-18(23-22-15)14-12-13(20)5-6-16(14)24(19(17)25)9-4-8-21;1-2-9-25-10-6-14-16-17(22-21-14)13-11-12(19)4-5-15(13)23(18(16)24)8-3-7-20;1-10(24-2)8-13-15-16(21-20-13)12-9-11(18)4-5-14(12)22(17(15)23)7-3-6-19;1-9(2)14-13-15(20-19-14)11-8-10(17)4-5-12(11)21(16(13)22)7-3-6-18/h4-5,12-13H,3,6-11,22H2,1-2H3,(H,23,24);5-6,12H,2-4,7-11,21H2,1H3,(H,22,23);4-5,11H,2-3,6-10,20H2,1H3,(H,21,22);4-5,9-10H,3,6-8,19H2,1-2H3,(H,20,21);4-5,8-9H,3,6-7,18H2,1-2H3,(H,19,20)
• InChIKey: WAQMJFNOSVXTJX-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 420.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.31
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 161451991) is 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is CC(C)CCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CC(C)c1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CCCCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.CCCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COC(C)Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.

What is the InChIKey of 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is WAQMJFNOSVXTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2.C19H25ClN4O2.C18H23ClN4O2.C17H21ClN4O2.C16H19ClN4O/c1-13(2)6-10-27-11-7-16-18-19(24-23-16)15-12-14(21)4-5-17(15)25(20(18)26)9-3-8-22;1-2-3-10-26-11-7-15-17-18(23-22-15)14-12-13(20)5-6-16(14)24(19(17)25)9-4-8-21;1-2-9-25-10-6-14-16-17(22-21-14)13-11-12(19)4-5-15(13)23(18(16)24)8-3-7-20;1-10(24-2)8-13-15-16(21-20-13)12-9-11(18)4-5-14(12)22(17(15)23)7-3-6-19;1-9(2)14-13-15(20-19-14)11-8-10(17)4-5-12(11)21(16(13)22)7-3-6-18/h4-5,12-13H,3,6-11,22H2,1-2H3,(H,23,24);5-6,12H,2-4,7-11,21H2,1H3,(H,22,23);4-5,11H,2-3,6-10,20H2,1H3,(H,21,22);4-5,9-10H,3,6-8,19H2,1-2H3,(H,20,21);4-5,8-9H,3,6-7,18H2,1-2H3,(H,19,20).

What are the key properties of 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1798.31 g/mol, XLogP of 15.03, 36 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 161451991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).