8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide

C81H93Cl5N20O10 — CID 158242468

About 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide

8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide (PubChem CID 158242468) has the molecular formula C81H93Cl5N20O10 and a molecular weight of 1684.03 g/mol. Its IUPAC name is 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide
• PubChem CID: 158242468
• Molecular Formula: C81H93Cl5N20O10
• Molecular Weight: 1684.03 g/mol
• Exact Mass: 1680.58
• IUPAC Name: 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide
• SMILES: CC(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CCNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCC(O)Cn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CC(O)C1CCCN1)c1ccc(Cl)cc21
• InChI: InChI=1S/C17H19ClN4O2.C17H21ClN4O2.C16H17ClN4O2.C16H19ClN4O2.C15H17ClN4O2/c1-9-15-16(21-20-9)11-7-10(18)4-5-13(11)22(17(15)24)8-14(23)12-3-2-6-19-12;1-3-19-9-12(23)6-7-22-14-5-4-11(18)8-13(14)16-15(17(22)24)10(2)20-21-16;1-9-14-15(20-19-9)12-8-11(17)4-5-13(12)21(16(14)23)7-3-6-18-10(2)22;1-9-14-15(20-19-9)12-7-10(17)3-4-13(12)21(16(14)23)6-5-11(22)8-18-2;1-8-13-14(19-18-8)11-5-9(16)3-4-12(11)20(15(13)22)7-10(21)6-17-2/h4-5,7,12,14,19,23H,2-3,6,8H2,1H3,(H,20,21);4-5,8,12,19,23H,3,6-7,9H2,1-2H3,(H,20,21);4-5,8H,3,6-7H2,1-2H3,(H,18,22)(H,19,20);3-4,7,11,18,22H,5-6,8H2,1-2H3,(H,19,20);3-5,10,17,21H,6-7H2,1-2H3,(H,18,19)
• InChIKey: GFSDEAMUOXYNSX-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 411.54 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.03
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	14
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 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide?

The IUPAC name of 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide (CID 158242468) is 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide.

What is the SMILES notation for 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide?

The canonical SMILES for 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide is CC(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CCNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCC(O)Cn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CC(O)C1CCCN1)c1ccc(Cl)cc21.

What is the InChIKey of 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide?

The InChIKey is GFSDEAMUOXYNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2.C17H21ClN4O2.C16H17ClN4O2.C16H19ClN4O2.C15H17ClN4O2/c1-9-15-16(21-20-9)11-7-10(18)4-5-13(11)22(17(15)24)8-14(23)12-3-2-6-19-12;1-3-19-9-12(23)6-7-22-14-5-4-11(18)8-13(14)16-15(17(22)24)10(2)20-21-16;1-9-14-15(20-19-9)12-8-11(17)4-5-13(12)21(16(14)23)7-3-6-18-10(2)22;1-9-14-15(20-19-9)12-7-10(17)3-4-13(12)21(16(14)23)6-5-11(22)8-18-2;1-8-13-14(19-18-8)11-5-9(16)3-4-12(11)20(15(13)22)7-10(21)6-17-2/h4-5,7,12,14,19,23H,2-3,6,8H2,1H3,(H,20,21);4-5,8,12,19,23H,3,6-7,9H2,1-2H3,(H,20,21);4-5,8H,3,6-7H2,1-2H3,(H,18,22)(H,19,20);3-4,7,11,18,22H,5-6,8H2,1-2H3,(H,19,20);3-5,10,17,21H,6-7H2,1-2H3,(H,18,19).

What are the key properties of 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide?

8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide has a molecular weight of 1684.03 g/mol, XLogP of 9.75, 22 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide is sourced from PubChem (CID 158242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).