N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile

C97H116N26O9 — CID 162155062

About N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile

N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile (PubChem CID 162155062) has the molecular formula C97H116N26O9 and a molecular weight of 1790.17 g/mol. Its IUPAC name is N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile
• PubChem CID: 162155062
• Molecular Formula: C97H116N26O9
• Molecular Weight: 1790.17 g/mol
• Exact Mass: 1788.94
• IUPAC Name: N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile
• SMILES: CC(C)(C#N)c1[nH]nc2c1c(=O)n(CCCN)c1ccccc21.COCC1(Cc2[nH]nc3c2c(=O)n(CCCN)c2ccccc32)CC1.Cc1[nH]nc2c1c(=O)n(CC(CN)NC(=O)c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CC(N)CC(=O)N1CCN(C)CC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCC(N)C(=O)N1CCN(C)CC1)c1ccccc21
• InChI: InChI=1S/C21H21N5O2.2C20H26N6O2.C19H24N4O2.C17H19N5O/c1-13-18-19(25-24-13)16-9-5-6-10-17(16)26(21(18)28)12-15(11-22)23-20(27)14-7-3-2-4-8-14;1-13-18-19(23-22-13)15-5-3-4-6-16(15)26(20(18)28)12-14(21)11-17(27)25-9-7-24(2)8-10-25;1-13-17-18(23-22-13)14-5-3-4-6-16(14)26(20(17)28)8-7-15(21)19(27)25-11-9-24(2)10-12-25;1-25-12-19(7-8-19)11-14-16-17(22-21-14)13-5-2-3-6-15(13)23(18(16)24)10-4-9-20;1-17(2,10-19)15-13-14(20-21-15)11-6-3-4-7-12(11)22(16(13)23)9-5-8-18/h2-10,15H,11-12,22H2,1H3,(H,23,27)(H,24,25);3-6,14H,7-12,21H2,1-2H3,(H,22,23);3-6,15H,7-12,21H2,1-2H3,(H,22,23);2-3,5-6H,4,7-12,20H2,1H3,(H,21,22);3-4,6-7H,5,8-9,18H2,1-2H3,(H,20,21)
• InChIKey: ZLSCNBRRFMTIOL-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 492.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1790.17
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile?

The IUPAC name of N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile (CID 162155062) is N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile.

What is the SMILES notation for N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile?

The canonical SMILES for N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile is CC(C)(C#N)c1[nH]nc2c1c(=O)n(CCCN)c1ccccc21.COCC1(Cc2[nH]nc3c2c(=O)n(CCCN)c2ccccc32)CC1.Cc1[nH]nc2c1c(=O)n(CC(CN)NC(=O)c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CC(N)CC(=O)N1CCN(C)CC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCC(N)C(=O)N1CCN(C)CC1)c1ccccc21.

What is the InChIKey of N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile?

The InChIKey is ZLSCNBRRFMTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.2C20H26N6O2.C19H24N4O2.C17H19N5O/c1-13-18-19(25-24-13)16-9-5-6-10-17(16)26(21(18)28)12-15(11-22)23-20(27)14-7-3-2-4-8-14;1-13-18-19(23-22-13)15-5-3-4-6-16(15)26(20(18)28)12-14(21)11-17(27)25-9-7-24(2)8-10-25;1-13-17-18(23-22-13)14-5-3-4-6-16(14)26(20(17)28)8-7-15(21)19(27)25-11-9-24(2)10-12-25;1-25-12-19(7-8-19)11-14-16-17(22-21-14)13-5-2-3-6-15(13)23(18(16)24)10-4-9-20;1-17(2,10-19)15-13-14(20-21-15)11-6-3-4-7-12(11)22(16(13)23)9-5-8-18/h2-10,15H,11-12,22H2,1H3,(H,23,27)(H,24,25);3-6,14H,7-12,21H2,1-2H3,(H,22,23);3-6,15H,7-12,21H2,1-2H3,(H,22,23);2-3,5-6H,4,7-12,20H2,1H3,(H,21,22);3-4,6-7H,5,8-9,18H2,1-2H3,(H,20,21).

What are the key properties of N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile?

N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile has a molecular weight of 1790.17 g/mol, XLogP of 7.52, 24 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propan-2-yl]benzamide;5-[2-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-amino-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-[[1-(methoxymethyl)cyclopropyl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;2-[5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-3-yl]-2-methylpropanenitrile is sourced from PubChem (CID 162155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).