2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C85H85ClN20O6 — CID 161216849

IUPAC2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCN(C)CC5)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)cc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/2C22H23N5O2.C21H20ClN5O.C20H19N5O/c1-25-9-11-26(12-10-25)16-5-8-20-18(13-16)21-19(14-23-20)22(28)27(24-21)15-3-6-17(29-2)7-4-15;1-25-9-11-26(12-10-25)16-5-8-18-20(13-16)23-14-19-21(18)24-27(22(19)28)15-3-6-17(29-2)7-4-15;1-25-8-10-26(11-9-25)16-6-7-19-17(12-16)20-18(13-23-19)21(28)27(24-20)15-4-2-14(22)3-5-15;26-20-17-13-22-18-12-15(24-10-8-21-9-11-24)6-7-16(18)19(17)23-25(20)14-4-2-1-3-5-14/h2*3-8,13-14,24H,9-12H2,1-2H3;2-7,12-13,24H,8-11H2,1H3;1-7,12-13,21,23H,8-11H2
InChIKeyIAFPCWYMVMCBFF-UHFFFAOYSA-N
MW1518.20 g/mol
LogP10.80
Rot. Bonds10

About 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161216849) has the molecular formula C85H85ClN20O6 and a molecular weight of 1518.20 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID161216849
Molecular FormulaC85H85ClN20O6
Molecular Weight1518.20 g/mol
Exact Mass1516.66
IUPAC Name2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCN(C)CC5)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)cc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/2C22H23N5O2.C21H20ClN5O.C20H19N5O/c1-25-9-11-26(12-10-25)16-5-8-20-18(13-16)21-19(14-23-20)22(28)27(24-21)15-3-6-17(29-2)7-4-15;1-25-9-11-26(12-10-25)16-5-8-18-20(13-16)23-14-19-21(18)24-27(22(19)28)15-3-6-17(29-2)7-4-15;1-25-8-10-26(11-9-25)16-6-7-19-17(12-16)20-18(13-23-19)21(28)27(24-20)15-4-2-14(22)3-5-15;26-20-17-13-22-18-12-15(24-10-8-21-9-11-24)6-7-16(18)19(17)23-25(20)14-4-2-1-3-5-14/h2*3-8,13-14,24H,9-12H2,1-2H3;2-7,12-13,24H,8-11H2,1H3;1-7,12-13,21,23H,8-11H2
InChIKeyIAFPCWYMVMCBFF-UHFFFAOYSA-N
XLogP10.80
TPSA255.89 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.20
LogP ≤ 510.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158468336
2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-fluorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 161820530
8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157074641
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
N-[3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-fluorobenzamide;4-fluoro-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-fluoro-N-[3-(8-methoxy-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;2-fluoro-N-[3-[3-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide
CID 157547733
2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157571053
N-[9-(2-aminoanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide;N-[9-(4-aminoanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide;N-[9-(cyclohexylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide;methane;N-[9-(4-methoxyanilino)-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide;N-[9-oxo-6-(3-pyrrolidin-1-ylpropanoylamino)-10H-acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 157829636
7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 157954042
8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158343203
2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158376384
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
2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159024853

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161216849) is 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCN(C)CC5)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)cc43)c2=O)cc1.O=c1c2cnc3cc(N4CCNCC4)ccc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is IAFPCWYMVMCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N5O2.C21H20ClN5O.C20H19N5O/c1-25-9-11-26(12-10-25)16-5-8-20-18(13-16)21-19(14-23-20)22(28)27(24-21)15-3-6-17(29-2)7-4-15;1-25-9-11-26(12-10-25)16-5-8-18-20(13-16)23-14-19-21(18)24-27(22(19)28)15-3-6-17(29-2)7-4-15;1-25-8-10-26(11-9-25)16-6-7-19-17(12-16)20-18(13-23-19)21(28)27(24-20)15-4-2-14(22)3-5-15;26-20-17-13-22-18-12-15(24-10-8-21-9-11-24)6-7-16(18)19(17)23-25(20)14-4-2-1-3-5-14/h2*3-8,13-14,24H,9-12H2,1-2H3;2-7,12-13,24H,8-11H2,1H3;1-7,12-13,21,23H,8-11H2.
What are the key properties of 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1518.20 g/mol, XLogP of 10.80, 10 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161216849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).