5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C98H116ClN21O7 — CID 162073435

About 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 162073435) has the molecular formula C98H116ClN21O7 and a molecular weight of 1735.60 g/mol. Its IUPAC name is 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 162073435
• Molecular Formula: C98H116ClN21O7
• Molecular Weight: 1735.60 g/mol
• Exact Mass: 1733.91
• IUPAC Name: 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: Cc1[nH]nc2c1c(=O)n(CCC(N)C(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C3CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCO)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCO)c1ccc(C#CCN3CCCC3)cc21
• InChI: InChI=1S/C23H29N5O.C21H24N4O2.C20H22N4O2.C17H21ClN4O.C17H20N4O/c1-17-21-22(25-24-17)19-16-18(8-6-14-27-12-4-5-13-27)9-10-20(19)28(23(21)29)15-7-11-26(2)3;1-15-19-20(23-22-15)17-14-16(6-4-11-24-9-2-3-10-24)7-8-18(17)25(21(19)27)12-5-13-26;1-14-18-19(22-21-14)16-13-15(5-4-10-23-8-2-3-9-23)6-7-17(16)24(11-12-25)20(18)26;1-9(2)13(19)6-7-22-14-5-4-11(18)8-12(14)16-15(17(22)23)10(3)20-21-16;1-10-15-16(20-19-10)13-9-12(11-3-4-11)5-6-14(13)21(17(15)22)8-2-7-18/h9-10,16H,4-5,7,11-15H2,1-3H3,(H,24,25);7-8,14,26H,2-3,5,9-13H2,1H3,(H,22,23);6-7,13,25H,2-3,8-12H2,1H3,(H,21,22);4-5,8-9,13H,6-7,19H2,1-3H3,(H,20,21);5-6,9,11H,2-4,7-8,18H2,1H3,(H,19,20)
• InChIKey: ZBJWUIQTGYQOPZ-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 358.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.60
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 162073435) is 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(CCC(N)C(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C3CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCO)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCO)c1ccc(C#CCN3CCCC3)cc21.

What is the InChIKey of 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is ZBJWUIQTGYQOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.C21H24N4O2.C20H22N4O2.C17H21ClN4O.C17H20N4O/c1-17-21-22(25-24-17)19-16-18(8-6-14-27-12-4-5-13-27)9-10-20(19)28(23(21)29)15-7-11-26(2)3;1-15-19-20(23-22-15)17-14-16(6-4-11-24-9-2-3-10-24)7-8-18(17)25(21(19)27)12-5-13-26;1-14-18-19(22-21-14)16-13-15(5-4-10-23-8-2-3-9-23)6-7-17(16)24(11-12-25)20(18)26;1-9(2)13(19)6-7-22-14-5-4-11(18)8-12(14)16-15(17(22)23)10(3)20-21-16;1-10-15-16(20-19-10)13-9-12(11-3-4-11)5-6-14(13)21(17(15)22)8-2-7-18/h9-10,16H,4-5,7,11-15H2,1-3H3,(H,24,25);7-8,14,26H,2-3,5,9-13H2,1H3,(H,22,23);6-7,13,25H,2-3,8-12H2,1H3,(H,21,22);4-5,8-9,13H,6-7,19H2,1-3H3,(H,20,21);5-6,9,11H,2-4,7-8,18H2,1H3,(H,19,20).

What are the key properties of 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1735.60 g/mol, XLogP of 11.85, 20 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-4-methylpentyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-cyclopropyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2-hydroxyethyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-hydroxypropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 162073435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).