8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide

C86H108N28O9 — CID 157246067

About 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide

8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide (PubChem CID 157246067) has the molecular formula C86H108N28O9 and a molecular weight of 1678.00 g/mol. Its IUPAC name is 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide
• PubChem CID: 157246067
• Molecular Formula: C86H108N28O9
• Molecular Weight: 1678.00 g/mol
• Exact Mass: 1676.89
• IUPAC Name: 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)Nc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)[C@@H]3CCCN3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)[C@H]3CCCN3)cc21
• InChI: InChI=1S/2C19H24N6O2.C18H24N6O2.C16H19N5O2.C14H17N5O/c2*1-11-16-17(24-23-11)13-10-12(22-18(26)14-4-2-8-21-14)5-6-15(13)25(19(16)27)9-3-7-20;1-11-16-17(22-21-11)13-9-12(20-15(25)10-23(2)3)5-6-14(13)24(18(16)26)8-4-7-19;1-9-14-15(20-19-9)12-8-11(18-10(2)22)4-5-13(12)21(16(14)23)7-3-6-17;1-8-12-13(18-17-8)10-7-9(16)3-4-11(10)19(14(12)20)6-2-5-15/h2*5-6,10,14,21H,2-4,7-9,20H2,1H3,(H,22,26)(H,23,24);5-6,9H,4,7-8,10,19H2,1-3H3,(H,20,25)(H,21,22);4-5,8H,3,6-7,17H2,1-2H3,(H,18,22)(H,19,20);3-4,7H,2,5-6,15-16H2,1H3,(H,17,18)/t2*14-;;;/m10.../s1
• InChIKey: AVTXKBVKMCHXMW-UQEZSFNJSA-N
• XLogP: 6.10
• TPSA: 553.22 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.00
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide (CID 157246067) is 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide is CC(=O)Nc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)[C@@H]3CCCN3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)[C@H]3CCCN3)cc21.

What is the InChIKey of 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide?

The InChIKey is AVTXKBVKMCHXMW-UQEZSFNJSA-N. The full InChI is InChI=1S/2C19H24N6O2.C18H24N6O2.C16H19N5O2.C14H17N5O/c2*1-11-16-17(24-23-11)13-10-12(22-18(26)14-4-2-8-21-14)5-6-15(13)25(19(16)27)9-3-7-20;1-11-16-17(22-21-11)13-9-12(20-15(25)10-23(2)3)5-6-14(13)24(18(16)26)8-4-7-19;1-9-14-15(20-19-9)12-8-11(18-10(2)22)4-5-13(12)21(16(14)23)7-3-6-17;1-8-12-13(18-17-8)10-7-9(16)3-4-11(10)19(14(12)20)6-2-5-15/h2*5-6,10,14,21H,2-4,7-9,20H2,1H3,(H,22,26)(H,23,24);5-6,9H,4,7-8,10,19H2,1-3H3,(H,20,25)(H,21,22);4-5,8H,3,6-7,17H2,1-2H3,(H,18,22)(H,19,20);3-4,7H,2,5-6,15-16H2,1H3,(H,17,18)/t2*14-;;;/m10.../s1.

What are the key properties of 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide?

8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide has a molecular weight of 1678.00 g/mol, XLogP of 6.10, 23 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 157246067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).