bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one

C76H88Cl2FIN20O5 — CID 159740773

IUPACbis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCNCCCn1c(=O)c2c(C)[nH]nc2c2cc(C)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(F)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(I)ccc21
InChIInChI=1S/C16H20N4O.2C15H17ClN4O.C15H17FN4O.C15H17IN4O/c1-10-5-6-13-12(9-10)15-14(11(2)18-19-15)16(21)20(13)8-4-7-17-3;4*1-9-13-14(19-18-9)11-8-10(16)4-5-12(11)20(15(13)21)7-3-6-17-2/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19);4*4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyNCKSNIOIWOKPJQ-UHFFFAOYSA-N
MW1578.48 g/mol
LogP11.34
Rot. Bonds20

About bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one

bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159740773) has the molecular formula C76H88Cl2FIN20O5 and a molecular weight of 1578.48 g/mol. Its IUPAC name is bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Namebis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID159740773
Molecular FormulaC76H88Cl2FIN20O5
Molecular Weight1578.48 g/mol
Exact Mass1576.57
IUPAC Namebis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCNCCCn1c(=O)c2c(C)[nH]nc2c2cc(C)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(F)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(I)ccc21
InChIInChI=1S/C16H20N4O.2C15H17ClN4O.C15H17FN4O.C15H17IN4O/c1-10-5-6-13-12(9-10)15-14(11(2)18-19-15)16(21)20(13)8-4-7-17-3;4*1-9-13-14(19-18-9)11-8-10(16)4-5-12(11)20(15(13)21)7-3-6-17-2/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19);4*4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyNCKSNIOIWOKPJQ-UHFFFAOYSA-N
XLogP11.34
TPSA313.55 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.48
LogP ≤ 511.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Related Compounds

5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide
CID 160835443
2-amino-3-(4-chlorophenyl)-N-[3-(3-cyano-4-oxo-1H-pyrazolo[4,5-c]quinolin-5-yl)propyl]propanamide;4-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]piperidine-4-carboxamide
CID 157119887
3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-N,N-dimethylpropanamide;5-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;methyl 2-amino-4-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)butanoate
CID 157176814
8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide
CID 157246067
8-chloro-5-[4-(ethylamino)-3-hydroxybutyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(methylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[2-hydroxy-3-(methylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(2-hydroxy-2-pyrrolidin-2-ylethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]acetamide
CID 158242468
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
4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide
CID 158496575
8-chloro-3-methyl-5-[2-[(2S)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one
CID 158593626
2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde
CID 158686258
5-(3-amino-2,2-dimethylpropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[2-[(2R)-piperidin-2-yl]ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;bis(8-chloro-3-methyl-5-(2-piperidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
CID 158874767
5-(3-aminopropyl)-8-chloro-3-[2-(dimethylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-ethoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 159394236
6-(3-aminopropyl)-8-chloro-3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[4-(dimethylamino)butyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-7-carboxamide;5-(3-aminopropyl)-7-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;bis(5-(3-aminopropyl)-3-methyl-7-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one)
CID 159499482

Frequently Asked Questions

What is the IUPAC name of bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159740773) is bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one is CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(C)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(F)ccc21.CNCCCn1c(=O)c2c(C)[nH]nc2c2cc(I)ccc21.
What is the InChIKey of bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is NCKSNIOIWOKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2C15H17ClN4O.C15H17FN4O.C15H17IN4O/c1-10-5-6-13-12(9-10)15-14(11(2)18-19-15)16(21)20(13)8-4-7-17-3;4*1-9-13-14(19-18-9)11-8-10(16)4-5-12(11)20(15(13)21)7-3-6-17-2/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,19);4*4-5,8,17H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one?
bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1578.48 g/mol, XLogP of 11.34, 20 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-chloro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one);3,8-dimethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-fluoro-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-iodo-3-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159740773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).