5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)

C90H107Cl5N20O6 — CID 158874767

About 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)

5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one) (PubChem CID 158874767) has the molecular formula C90H107Cl5N20O6 and a molecular weight of 1742.24 g/mol. Its IUPAC name is 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one).

Molecular Properties

• Compound Name: 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
• PubChem CID: 158874767
• Molecular Formula: C90H107Cl5N20O6
• Molecular Weight: 1742.24 g/mol
• Exact Mass: 1738.71
• IUPAC Name: 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
• SMILES: COCCc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H]1CCCCN1)c1ccc(Cl)cc21
• InChI: InChI=1S/C20H25ClN4O2.3C18H21ClN4O.C16H19ClN4O/c1-27-11-8-16-18-19(24-23-16)15-12-13(21)5-6-17(15)25(20(18)26)10-7-14-4-2-3-9-22-14;3*1-11-16-17(22-21-11)14-10-12(19)5-6-15(14)23(18(16)24)9-7-13-4-2-3-8-20-13;1-9-13-14(20-19-9)11-6-10(17)4-5-12(11)21(15(13)22)8-16(2,3)7-18/h5-6,12,14,22H,2-4,7-11H2,1H3,(H,23,24);3*5-6,10,13,20H,2-4,7-9H2,1H3,(H,21,22);4-6H,7-8,18H2,1-3H3,(H,19,20)/t;13-;;;/m.1.../s1
• InChIKey: JCHIRWUBIBLEME-QEANAVKHSA-N
• XLogP: 16.19
• TPSA: 336.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1742.24
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The IUPAC name of 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one) (CID 158874767) is 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one).

What is the SMILES notation for 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The canonical SMILES for 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one) is COCCc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCC1CCCCN1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC[C@H]1CCCCN1)c1ccc(Cl)cc21.

What is the InChIKey of 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

The InChIKey is JCHIRWUBIBLEME-QEANAVKHSA-N. The full InChI is InChI=1S/C20H25ClN4O2.3C18H21ClN4O.C16H19ClN4O/c1-27-11-8-16-18-19(24-23-16)15-12-13(21)5-6-17(15)25(20(18)26)10-7-14-4-2-3-9-22-14;3*1-11-16-17(22-21-11)14-10-12(19)5-6-15(14)23(18(16)24)9-7-13-4-2-3-8-20-13;1-9-13-14(20-19-9)11-6-10(17)4-5-12(11)21(15(13)22)8-16(2,3)7-18/h5-6,12,14,22H,2-4,7-11H2,1H3,(H,23,24);3*5-6,10,13,20H,2-4,7-9H2,1H3,(H,21,22);4-6H,7-8,18H2,1-3H3,(H,19,20)/t;13-;;;/m.1.../s1.

What are the key properties of 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)?

5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one) has a molecular weight of 1742.24 g/mol, XLogP of 16.19, 18 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one) is sourced from PubChem (CID 158874767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).