5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

C59H67BrCl2N16O5 — CID 159190327

IUPAC5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN
InChIInChI=1S/C16H19ClN4O2.C15H18N4O.C14H15BrN4O.C14H15ClN4O/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18;1-9-4-5-12-11(8-9)14-13(10(2)17-18-14)15(20)19(12)7-3-6-16;2*1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,9H,2,5-8,18H2,1H3,(H,19,20);4-5,8H,3,6-7,16H2,1-2H3,(H,17,18);2*3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyKNZSFWVJOYBTOQ-UHFFFAOYSA-N
MW1231.10 g/mol
LogP8.40
Rot. Bonds15

About 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 159190327) has the molecular formula C59H67BrCl2N16O5 and a molecular weight of 1231.10 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID159190327
Molecular FormulaC59H67BrCl2N16O5
Molecular Weight1231.10 g/mol
Exact Mass1228.40
IUPAC Name5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN
InChIInChI=1S/C16H19ClN4O2.C15H18N4O.C14H15BrN4O.C14H15ClN4O/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18;1-9-4-5-12-11(8-9)14-13(10(2)17-18-14)15(20)19(12)7-3-6-16;2*1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,9H,2,5-8,18H2,1H3,(H,19,20);4-5,8H,3,6-7,16H2,1-2H3,(H,17,18);2*3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyKNZSFWVJOYBTOQ-UHFFFAOYSA-N
XLogP8.40
TPSA316.03 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001231.10
LogP ≤ 58.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Related Compounds

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
N-[3-[8-bromo-3-(2-methoxyethyl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-chlorobenzamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexanecarboxamide;N-[3-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylacetamide;(Z)-but-2-ene;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide
CID 158774543
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
5-(3-amino-3-methylbutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(azetidin-3-ylmethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-(piperidin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-[[(3S)-piperidin-3-yl]methyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(2-oxo-2-pyrrolidin-2-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 160128226
5-(3-aminobutyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(3S)-3-aminobutyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminobutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[(2S)-3-amino-2-methylpropyl]-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3,3-diaminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 160341459
5-(3-aminopropyl)-3-(2-butoxyethyl)-8-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxypropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-[2-(3-methylbutoxy)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-propan-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-propoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 161451991
8-bromo-3-methyl-5-(4-oxo-4-piperazin-1-ylbutyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)pentanoic acid;3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)-N-[(4-methylphenyl)methyl]propanamide;methyl 5-(8-bromo-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)pentanoate;3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 161500419
5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-iodo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-but-3-enyl-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-hydroxypropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 161991351
8-chloro-5-[3-(ethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-(2-methoxyethyl)-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-[3-(propylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;3,8-dimethyl-5-[3-(2-methylpropylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one;3-(2-methoxyethyl)-8-methyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
CID 162045384

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 159190327) is 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.
What is the InChIKey of 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is KNZSFWVJOYBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2.C15H18N4O.C14H15BrN4O.C14H15ClN4O/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18;1-9-4-5-12-11(8-9)14-13(10(2)17-18-14)15(20)19(12)7-3-6-16;2*1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,9H,2,5-8,18H2,1H3,(H,19,20);4-5,8H,3,6-7,16H2,1-2H3,(H,17,18);2*3-4,7H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1231.10 g/mol, XLogP of 8.40, 15 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 159190327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).