3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide

C109H116Cl2F2N26O11 — CID 161494016

About 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide

3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 161494016) has the molecular formula C109H116Cl2F2N26O11 and a molecular weight of 2075.20 g/mol. Its IUPAC name is 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 161494016
• Molecular Formula: C109H116Cl2F2N26O11
• Molecular Weight: 2075.20 g/mol
• Exact Mass: 2072.87
• IUPAC Name: 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CC1c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)CC(N)c1ccc(Cl)cc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)N1CCOCC1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc21
• InChI: InChI=1S/C24H24N4O2.C23H24ClN5O2.C23H23F2N5O2.C20H23N7O2.C19H22ClN5O3/c1-15-21-22(27-26-15)17-10-5-6-11-20(17)28(24(21)30)13-7-12-25-23(29)19-14-18(19)16-8-3-2-4-9-16;1-14-21-22(28-27-14)17-5-2-3-6-19(17)29(23(21)31)12-4-11-26-20(30)13-18(25)15-7-9-16(24)10-8-15;1-13-20-21(29-28-13)15-5-2-3-6-19(15)30(23(20)32)10-4-9-27-22(31)18(26)12-14-7-8-16(24)17(25)11-14;1-12-17-18(26-25-12)14-5-2-3-6-16(14)27(20(17)29)8-4-7-23-19(28)15(21)9-13-10-22-11-24-13;1-12-16-17(23-22-12)14-11-13(20)3-4-15(14)25(18(16)26)6-2-5-21-19(27)24-7-9-28-10-8-24/h2-6,8-11,18-19H,7,12-14H2,1H3,(H,25,29)(H,26,27);2-3,5-10,18H,4,11-13,25H2,1H3,(H,26,30)(H,27,28);2-3,5-8,11,18H,4,9-10,12,26H2,1H3,(H,27,31)(H,28,29);2-3,5-6,10-11,15H,4,7-9,21H2,1H3,(H,22,24)(H,23,28)(H,25,26);3-4,11H,2,5-10H2,1H3,(H,21,27)(H,22,23)/t;;18-;15-;/m..00./s1
• InChIKey: WFYSHGDAJDDDOI-WXRCDUGASA-N
• XLogP: 12.73
• TPSA: 518.11 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.20
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide?

The IUPAC name of 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide (CID 161494016) is 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide?

The canonical SMILES for 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1CC1c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)CC(N)c1ccc(Cl)cc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)N1CCOCC1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)Cc1cnc[nH]1)c1ccccc21.

What is the InChIKey of 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide?

The InChIKey is WFYSHGDAJDDDOI-WXRCDUGASA-N. The full InChI is InChI=1S/C24H24N4O2.C23H24ClN5O2.C23H23F2N5O2.C20H23N7O2.C19H22ClN5O3/c1-15-21-22(27-26-15)17-10-5-6-11-20(17)28(24(21)30)13-7-12-25-23(29)19-14-18(19)16-8-3-2-4-9-16;1-14-21-22(28-27-14)17-5-2-3-6-19(17)29(23(21)31)12-4-11-26-20(30)13-18(25)15-7-9-16(24)10-8-15;1-13-20-21(29-28-13)15-5-2-3-6-19(15)30(23(20)32)10-4-9-27-22(31)18(26)12-14-7-8-16(24)17(25)11-14;1-12-17-18(26-25-12)14-5-2-3-6-16(14)27(20(17)29)8-4-7-23-19(28)15(21)9-13-10-22-11-24-13;1-12-16-17(23-22-12)14-11-13(20)3-4-15(14)25(18(16)26)6-2-5-21-19(27)24-7-9-28-10-8-24/h2-6,8-11,18-19H,7,12-14H2,1H3,(H,25,29)(H,26,27);2-3,5-10,18H,4,11-13,25H2,1H3,(H,26,30)(H,27,28);2-3,5-8,11,18H,4,9-10,12,26H2,1H3,(H,27,31)(H,28,29);2-3,5-6,10-11,15H,4,7-9,21H2,1H3,(H,22,24)(H,23,28)(H,25,26);3-4,11H,2,5-10H2,1H3,(H,21,27)(H,22,23)/t;;18-;15-;/m..00./s1.

What are the key properties of 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide?

3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 2075.20 g/mol, XLogP of 12.73, 31 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 161494016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).