5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one

C83H97Cl5N20O7 — CID 158380170

About 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one

5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 158380170) has the molecular formula C83H97Cl5N20O7 and a molecular weight of 1664.09 g/mol. Its IUPAC name is 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 158380170
• Molecular Formula: C83H97Cl5N20O7
• Molecular Weight: 1664.09 g/mol
• Exact Mass: 1660.63
• IUPAC Name: 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: COCCc1[nH]nc2c1c(=O)n(C[C@@H](C)CN)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(C[C@H](C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC1CCCNC1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(C[C@H](C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(C[C@H]1CCCNC1)c1ccc(Cl)cc21
• InChI: InChI=1S/2C17H21ClN4O2.2C17H19ClN4O.C15H17ClN4O/c2*1-10(8-19)9-22-14-4-3-11(18)7-12(14)16-15(17(22)23)13(20-21-16)5-6-24-2;2*1-10-15-16(21-20-10)13-7-12(18)4-5-14(13)22(17(15)23)9-11-3-2-6-19-8-11;1-8(6-17)7-20-12-4-3-10(16)5-11(12)14-13(15(20)21)9(2)18-19-14/h2*3-4,7,10H,5-6,8-9,19H2,1-2H3,(H,20,21);2*4-5,7,11,19H,2-3,6,8-9H2,1H3,(H,20,21);3-5,8H,6-7,17H2,1-2H3,(H,18,19)/t2*10-;11-;;8-/m100.1/s1
• InChIKey: GVRPTCCTBAROCJ-XZIPSCNXSA-N
• XLogP: 12.74
• TPSA: 373.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1664.09
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one (CID 158380170) is 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one is COCCc1[nH]nc2c1c(=O)n(C[C@@H](C)CN)c1ccc(Cl)cc21.COCCc1[nH]nc2c1c(=O)n(C[C@H](C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC1CCCNC1)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(C[C@H](C)CN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(C[C@H]1CCCNC1)c1ccc(Cl)cc21.

What is the InChIKey of 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is GVRPTCCTBAROCJ-XZIPSCNXSA-N. The full InChI is InChI=1S/2C17H21ClN4O2.2C17H19ClN4O.C15H17ClN4O/c2*1-10(8-19)9-22-14-4-3-11(18)7-12(14)16-15(17(22)23)13(20-21-16)5-6-24-2;2*1-10-15-16(21-20-10)13-7-12(18)4-5-14(13)22(17(15)23)9-11-3-2-6-19-8-11;1-8(6-17)7-20-12-4-3-10(16)5-11(12)14-13(15(20)21)9(2)18-19-14/h2*3-4,7,10H,5-6,8-9,19H2,1-2H3,(H,20,21);2*4-5,7,11,19H,2-3,6,8-9H2,1H3,(H,20,21);3-5,8H,6-7,17H2,1-2H3,(H,18,19)/t2*10-;11-;;8-/m100.1/s1.

What are the key properties of 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one?

5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1664.09 g/mol, XLogP of 12.74, 19 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2R)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 158380170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).