bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

C83H96Cl5N21O8 — CID 157332782

IUPACbis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CN(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCn1ccnc1)c1ccc(Cl)cc21
InChIInChI=1S/C18H23ClN4O2.C18H23ClN4O.C17H16ClN5O.2C15H17ClN4O2/c1-22(2)8-4-9-23-15-6-5-12(19)11-13(15)17-16(18(23)24)14(20-21-17)7-10-25-3;1-11-15-16(21-20-11)13-8-12(19)6-7-14(13)23(17(15)24)10-18(2,3)9-22(4)5;1-11-15-16(21-20-11)13-9-12(18)3-4-14(13)23(17(15)24)7-2-6-22-8-5-19-10-22;2*1-22-8-11-13-14(19-18-11)10-7-9(16)3-4-12(10)20(15(13)21)6-2-5-17/h5-6,11H,4,7-10H2,1-3H3,(H,20,21);6-8H,9-10H2,1-5H3,(H,20,21);3-5,8-10H,2,6-7H2,1H3,(H,20,21);2*3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyBFMDYDIXRSISEB-UHFFFAOYSA-N
MW1693.08 g/mol
LogP13.28
Rot. Bonds25

About bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 157332782) has the molecular formula C83H96Cl5N21O8 and a molecular weight of 1693.08 g/mol. Its IUPAC name is bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Namebis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID157332782
Molecular FormulaC83H96Cl5N21O8
Molecular Weight1693.08 g/mol
Exact Mass1689.62
IUPAC Namebis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CN(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCn1ccnc1)c1ccc(Cl)cc21
InChIInChI=1S/C18H23ClN4O2.C18H23ClN4O.C17H16ClN5O.2C15H17ClN4O2/c1-22(2)8-4-9-23-15-6-5-12(19)11-13(15)17-16(18(23)24)14(20-21-17)7-10-25-3;1-11-15-16(21-20-11)13-8-12(19)6-7-14(13)23(17(15)24)10-18(2,3)9-22(4)5;1-11-15-16(21-20-11)13-9-12(18)3-4-14(13)23(17(15)24)7-2-6-22-8-5-19-10-22;2*1-22-8-11-13-14(19-18-11)10-7-9(16)3-4-12(10)20(15(13)21)6-2-5-17/h5-6,11H,4,7-10H2,1-3H3,(H,20,21);6-8H,9-10H2,1-5H3,(H,20,21);3-5,8-10H,2,6-7H2,1H3,(H,20,21);2*3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyBFMDYDIXRSISEB-UHFFFAOYSA-N
XLogP13.28
TPSA357.43 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.08
LogP ≤ 513.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Related Compounds

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-imidazol-1-ylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;ethyl 6-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate;methyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 157637104
8-chloro-5-(3-hydroxy-4-imidazol-1-ylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propan-2-ylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-hydroxy-4-(propylamino)butyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]guanidine;2-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,1,3,3-tetramethylguanidine
CID 160885143
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
CID 161243947
3-amino-3-(4-chlorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(3,4-difluorophenyl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-3-(1H-imidazol-5-yl)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]morpholine-4-carboxamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 161494016

Frequently Asked Questions

What is the IUPAC name of bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 157332782) is bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is COCCc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.COCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CN(C)C)c1ccc(Cl)cc21.Cc1[nH]nc2c1c(=O)n(CCCn1ccnc1)c1ccc(Cl)cc21.
What is the InChIKey of bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is BFMDYDIXRSISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2.C18H23ClN4O.C17H16ClN5O.2C15H17ClN4O2/c1-22(2)8-4-9-23-15-6-5-12(19)11-13(15)17-16(18(23)24)14(20-21-17)7-10-25-3;1-11-15-16(21-20-11)13-8-12(19)6-7-14(13)23(17(15)24)10-18(2,3)9-22(4)5;1-11-15-16(21-20-11)13-9-12(18)3-4-14(13)23(17(15)24)7-2-6-22-8-5-19-10-22;2*1-22-8-11-13-14(19-18-11)10-7-9(16)3-4-12(10)20(15(13)21)6-2-5-17/h5-6,11H,4,7-10H2,1-3H3,(H,20,21);6-8H,9-10H2,1-5H3,(H,20,21);3-5,8-10H,2,6-7H2,1H3,(H,20,21);2*3-4,7H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1693.08 g/mol, XLogP of 13.28, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 157332782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).