2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

C78H85Cl2N17O11 — CID 161208497

About 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 161208497) has the molecular formula C78H85Cl2N17O11 and a molecular weight of 1507.55 g/mol. Its IUPAC name is 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 161208497
• Molecular Formula: C78H85Cl2N17O11
• Molecular Weight: 1507.55 g/mol
• Exact Mass: 1505.60
• IUPAC Name: 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCN(C)C)cccc21.Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCN)cccc21.Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCNC(=O)c3ccc(Cl)cc3)cccc21.NC(Cc1ccc(Cl)cc1)C(=O)NCCCn1c(=O)c2c(CC(=O)O)[nH]nc2c2ccccc21
• InChI: InChI=1S/C24H24ClN5O4.C22H21ClN4O3.C17H22N4O2.C15H18N4O2/c25-15-8-6-14(7-9-15)12-17(26)23(33)27-10-3-11-30-19-5-2-1-4-16(19)22-21(24(30)34)18(28-29-22)13-20(31)32;1-13-18-19(26-25-13)16-5-3-6-17(20(16)27(2)22(18)29)30-12-4-11-24-21(28)14-7-9-15(23)10-8-14;1-11-14-15(19-18-11)12-7-5-8-13(16(12)21(4)17(14)22)23-10-6-9-20(2)3;1-9-12-13(18-17-9)10-5-3-6-11(21-8-4-7-16)14(10)19(2)15(12)20/h1-2,4-9,17H,3,10-13,26H2,(H,27,33)(H,28,29)(H,31,32);3,5-10H,4,11-12H2,1-2H3,(H,24,28)(H,25,26);5,7-8H,6,9-10H2,1-4H3,(H,18,19);3,5-6H,4,7-8,16H2,1-2H3,(H,17,18)
• InChIKey: UVXPWMCUXQQRRH-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 381.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1507.55
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 161208497) is 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCN(C)C)cccc21.Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCN)cccc21.Cc1[nH]nc2c1c(=O)n(C)c1c(OCCCNC(=O)c3ccc(Cl)cc3)cccc21.NC(Cc1ccc(Cl)cc1)C(=O)NCCCn1c(=O)c2c(CC(=O)O)[nH]nc2c2ccccc21.

What is the InChIKey of 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is UVXPWMCUXQQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4.C22H21ClN4O3.C17H22N4O2.C15H18N4O2/c25-15-8-6-14(7-9-15)12-17(26)23(33)27-10-3-11-30-19-5-2-1-4-16(19)22-21(24(30)34)18(28-29-22)13-20(31)32;1-13-18-19(26-25-13)16-5-3-6-17(20(16)27(2)22(18)29)30-12-4-11-24-21(28)14-7-9-15(23)10-8-14;1-11-14-15(19-18-11)12-7-5-8-13(16(12)21(4)17(14)22)23-10-6-9-20(2)3;1-9-12-13(18-17-9)10-5-3-6-11(21-8-4-7-16)14(10)19(2)15(12)20/h1-2,4-9,17H,3,10-13,26H2,(H,27,33)(H,28,29)(H,31,32);3,5-10H,4,11-12H2,1-2H3,(H,24,28)(H,25,26);5,7-8H,6,9-10H2,1-4H3,(H,18,19);3,5-6H,4,7-8,16H2,1-2H3,(H,17,18).

What are the key properties of 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?

2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1507.55 g/mol, XLogP of 9.31, 24 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]propyl]-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]acetic acid;6-(3-aminopropoxy)-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[(3,5-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]benzamide;6-[3-(dimethylamino)propoxy]-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 161208497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).