5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one

C95H103N21O8 — CID 159743534

About 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159743534) has the molecular formula C95H103N21O8 and a molecular weight of 1667.01 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 159743534
• Molecular Formula: C95H103N21O8
• Molecular Weight: 1667.01 g/mol
• Exact Mass: 1665.83
• IUPAC Name: 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: CC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COCC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(C)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCOc3ccccc3)cc21
• InChI: InChI=1S/C23H22N4O2.C19H23N5O.2C18H20N4O2.C17H18N4O/c1-16-21-22(26-25-16)19-15-17(7-5-14-29-18-8-3-2-4-9-18)10-11-20(19)27(23(21)28)13-6-12-24;1-13-17-18(22-21-13)15-12-14(6-4-10-23(2)3)7-8-16(15)24(19(17)25)11-5-9-20;1-11(23)4-5-13-6-7-15-14(10-13)17-16(12(2)20-21-17)18(24)22(15)9-3-8-19;1-12-16-17(21-20-12)14-11-13(5-3-10-24-2)6-7-15(14)22(18(16)23)9-4-8-19;1-3-5-12-6-7-14-13(10-12)16-15(11(2)19-20-16)17(22)21(14)9-4-8-18/h2-4,8-11,15H,6,12-14,24H2,1H3,(H,25,26);7-8,12H,5,9-11,20H2,1-3H3,(H,21,22);6-7,10-11,23H,3,8-9,19H2,1-2H3,(H,20,21);6-7,11H,4,8-10,19H2,1-2H3,(H,20,21);6-7,10H,4,8-9,18H2,1-2H3,(H,19,20)
• InChIKey: NCTLAZGSGFWUSQ-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 425.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.01
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159743534) is 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one is CC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COCC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(C)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCOc3ccccc3)cc21.

What is the InChIKey of 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is NCTLAZGSGFWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.C19H23N5O.2C18H20N4O2.C17H18N4O/c1-16-21-22(26-25-16)19-15-17(7-5-14-29-18-8-3-2-4-9-18)10-11-20(19)27(23(21)28)13-6-12-24;1-13-17-18(22-21-13)15-12-14(6-4-10-23(2)3)7-8-16(15)24(19(17)25)11-5-9-20;1-11(23)4-5-13-6-7-15-14(10-13)17-16(12(2)20-21-17)18(24)22(15)9-3-8-19;1-12-16-17(21-20-12)14-11-13(5-3-10-24-2)6-7-15(14)22(18(16)23)9-4-8-19;1-3-5-12-6-7-14-13(10-12)16-15(11(2)19-20-16)17(22)21(14)9-4-8-18/h2-4,8-11,15H,6,12-14,24H2,1H3,(H,25,26);7-8,12H,5,9-11,20H2,1-3H3,(H,21,22);6-7,10-11,23H,3,8-9,19H2,1-2H3,(H,20,21);6-7,11H,4,8-10,19H2,1-2H3,(H,20,21);6-7,10H,4,8-9,18H2,1-2H3,(H,19,20).

What are the key properties of 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one?

5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1667.01 g/mol, XLogP of 9.12, 19 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-[3-(dimethylamino)prop-1-ynyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxybut-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-methoxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-phenoxyprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-prop-1-ynyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159743534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).