3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one

C89H101ClN22O12 — CID 158608373

About 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one

3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 158608373) has the molecular formula C89H101ClN22O12 and a molecular weight of 1706.38 g/mol. Its IUPAC name is 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 158608373
• Molecular Formula: C89H101ClN22O12
• Molecular Weight: 1706.38 g/mol
• Exact Mass: 1704.77
• IUPAC Name: 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: COCCc1[nH]nc2c1c(=O)n(CCC(O)CO)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C)cc21.Cc1[nH]nc2c1c(=O)n(CC(O)CO)c1ccc(-c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CCN)cc21
• InChI: InChI=1S/C19H19N5O.C19H18N4O3.C17H20ClN3O4.C17H22N6O2.C17H22N4O2/c1-12-17-18(23-22-12)15-11-14(13-5-8-21-9-6-13)3-4-16(15)24(19(17)25)10-2-7-20;1-11-17-18(22-21-11)15-8-13(12-4-6-20-7-5-12)2-3-16(15)23(19(17)26)9-14(25)10-24;1-25-7-5-13-15-16(20-19-13)12-8-10(18)2-3-14(12)21(17(15)24)6-4-11(23)9-22;1-10-15-16(22-21-10)12-9-11(20-14(24)5-7-19)3-4-13(12)23(17(15)25)8-2-6-18;1-11-4-5-14-12(10-11)16-15(13(19-20-16)6-9-23-2)17(22)21(14)8-3-7-18/h3-6,8-9,11H,2,7,10,20H2,1H3,(H,22,23);2-8,14,24-25H,9-10H2,1H3,(H,21,22);2-3,8,11,22-23H,4-7,9H2,1H3,(H,19,20);3-4,9H,2,5-8,18-19H2,1H3,(H,20,24)(H,21,22);4-5,10H,3,6-9,18H2,1-2H3,(H,19,20)
• InChIKey: HWNFJWJOXLLISV-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 511.74 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1706.38
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 158608373) is 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one is COCCc1[nH]nc2c1c(=O)n(CCC(O)CO)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C)cc21.Cc1[nH]nc2c1c(=O)n(CC(O)CO)c1ccc(-c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CCN)cc21.

What is the InChIKey of 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is HWNFJWJOXLLISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C19H18N4O3.C17H20ClN3O4.C17H22N6O2.C17H22N4O2/c1-12-17-18(23-22-12)15-11-14(13-5-8-21-9-6-13)3-4-16(15)24(19(17)25)10-2-7-20;1-11-17-18(22-21-11)15-8-13(12-4-6-20-7-5-12)2-3-16(15)23(19(17)26)9-14(25)10-24;1-25-7-5-13-15-16(20-19-13)12-8-10(18)2-3-14(12)21(17(15)24)6-4-11(23)9-22;1-10-15-16(22-21-10)12-9-11(20-14(24)5-7-19)3-4-13(12)23(17(15)25)8-2-6-18;1-11-4-5-14-12(10-11)16-15(13(19-20-16)6-9-23-2)17(22)21(14)8-3-7-18/h3-6,8-9,11H,2,7,10,20H2,1H3,(H,22,23);2-8,14,24-25H,9-10H2,1H3,(H,21,22);2-3,8,11,22-23H,4-7,9H2,1H3,(H,19,20);3-4,9H,2,5-8,18-19H2,1H3,(H,20,24)(H,21,22);4-5,10H,3,6-9,18H2,1-2H3,(H,19,20).

What are the key properties of 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?

3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1706.38 g/mol, XLogP of 8.21, 27 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanamide;5-(3-aminopropyl)-3-(2-methoxyethyl)-8-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,4-dihydroxybutyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(2,3-dihydroxypropyl)-3-methyl-8-pyridin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 158608373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).