7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C66H50BrClN16O10 — CID 157327962

IUPAC7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
InChIInChI=1S/2C17H14N4O3.C16H11BrN4O2.C16H11ClN4O2/c1-24-12-4-2-11(3-5-12)21-17(23)14-8-19-15-6-10(9-22)18-7-13(15)16(14)20-21;1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h2*2-8,20,22H,9H2,1H3;2*2-8,20H,1H3
InChIKeyBPAKPHIOTUFXAC-UHFFFAOYSA-N
MW1342.58 g/mol
LogP9.48
Rot. Bonds10

About 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 157327962) has the molecular formula C66H50BrClN16O10 and a molecular weight of 1342.58 g/mol. Its IUPAC name is 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID157327962
Molecular FormulaC66H50BrClN16O10
Molecular Weight1342.58 g/mol
Exact Mass1340.28
IUPAC Name7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
InChIInChI=1S/2C17H14N4O3.C16H11BrN4O2.C16H11ClN4O2/c1-24-12-4-2-11(3-5-12)21-17(23)14-8-19-15-6-10(9-22)18-7-13(15)16(14)20-21;1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h2*2-8,20,22H,9H2,1H3;2*2-8,20H,1H3
InChIKeyBPAKPHIOTUFXAC-UHFFFAOYSA-N
XLogP9.48
TPSA331.66 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001342.58
LogP ≤ 59.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157846711
7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157193192
8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one);7-methyl-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol
CID 157387033
7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157493989
7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157821883
7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158220233
7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158268778
7-bromo-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;2-(4-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one
CID 158514291
8-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158850533
7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159206361
8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159253095
7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159450411

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 157327962) is 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1.
What is the InChIKey of 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BPAKPHIOTUFXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N4O3.C16H11BrN4O2.C16H11ClN4O2/c1-24-12-4-2-11(3-5-12)21-17(23)14-8-19-15-6-10(9-22)18-7-13(15)16(14)20-21;1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h2*2-8,20,22H,9H2,1H3;2*2-8,20H,1H3.
What are the key properties of 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1342.58 g/mol, XLogP of 9.48, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 157327962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).