5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate

C87H96N24O9 — CID 158904398

About 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate

5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate (PubChem CID 158904398) has the molecular formula C87H96N24O9 and a molecular weight of 1621.88 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate
• PubChem CID: 158904398
• Molecular Formula: C87H96N24O9
• Molecular Weight: 1621.88 g/mol
• Exact Mass: 1620.78
• IUPAC Name: 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate
• SMILES: CNCC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COC(=O)/C(=C/c1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN)NC(C)=O.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCO)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#N)cc21
• InChI: InChI=1S/C20H23N5O4.C18H21N5O.C17H19N5O.C17H18N4O2.C15H15N5O/c1-11-17-18(24-23-11)14-9-13(10-15(20(28)29-3)22-12(2)26)5-6-16(14)25(19(17)27)8-4-7-21;1-12-16-17(22-21-12)14-11-13(5-3-9-20-2)6-7-15(14)23(18(16)24)10-4-8-19;1-11-15-16(21-20-11)13-10-12(4-2-7-18)5-6-14(13)22(17(15)23)9-3-8-19;1-11-15-16(20-19-11)13-10-12(4-2-9-22)5-6-14(13)21(17(15)23)8-3-7-18;1-9-13-14(19-18-9)11-7-10(8-17)3-4-12(11)20(15(13)21)6-2-5-16/h5-6,9-10H,4,7-8,21H2,1-3H3,(H,22,26)(H,23,24);6-7,11,20H,4,8-10,19H2,1-2H3,(H,21,22);5-6,10H,3,7-9,18-19H2,1H3,(H,20,21);5-6,10,22H,3,7-9,18H2,1H3,(H,19,20);3-4,7H,2,5-6,16H2,1H3,(H,18,19)/b15-10-
• InChIKey: JFVZCQGVUQKYOE-NLXXNXRRSA-N
• XLogP: 5.42
• TPSA: 520.97 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.88
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The IUPAC name of 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate (CID 158904398) is 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate.

What is the SMILES notation for 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The canonical SMILES for 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate is CNCC#Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COC(=O)/C(=C/c1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN)NC(C)=O.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCO)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#N)cc21.

What is the InChIKey of 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The InChIKey is JFVZCQGVUQKYOE-NLXXNXRRSA-N. The full InChI is InChI=1S/C20H23N5O4.C18H21N5O.C17H19N5O.C17H18N4O2.C15H15N5O/c1-11-17-18(24-23-11)14-9-13(10-15(20(28)29-3)22-12(2)26)5-6-16(14)25(19(17)27)8-4-7-21;1-12-16-17(22-21-12)14-11-13(5-3-9-20-2)6-7-15(14)23(18(16)24)10-4-8-19;1-11-15-16(21-20-11)13-10-12(4-2-7-18)5-6-14(13)22(17(15)23)9-3-8-19;1-11-15-16(20-19-11)13-10-12(4-2-9-22)5-6-14(13)21(17(15)23)8-3-7-18;1-9-13-14(19-18-9)11-7-10(8-17)3-4-12(11)20(15(13)21)6-2-5-16/h5-6,9-10H,4,7-8,21H2,1-3H3,(H,22,26)(H,23,24);6-7,11,20H,4,8-10,19H2,1-2H3,(H,21,22);5-6,10H,3,7-9,18-19H2,1H3,(H,20,21);5-6,10,22H,3,7-9,18H2,1H3,(H,19,20);3-4,7H,2,5-6,16H2,1H3,(H,18,19)/b15-10-;;;;.

What are the key properties of 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate has a molecular weight of 1621.88 g/mol, XLogP of 5.42, 19 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-(3-aminoprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-hydroxyprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(methylamino)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carbonitrile;methyl (Z)-2-acetamido-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate is sourced from PubChem (CID 158904398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).