7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C85H81F4N19O6 — CID 161369233

IUPAC7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4c(F)c(N5CCN(C)CC5)c(F)cc43)c2=O)cc1.Cc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C22H21F2N5O2.C22H23N5O.C21H20FN5O.C20H17FN4O2/c1-27-7-9-28(10-8-27)21-17(23)11-15-19-16(12-25-20(15)18(21)24)22(30)29(26-19)13-3-5-14(31-2)6-4-13;1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;22-18-17(26-11-4-9-23-10-12-26)8-7-15-19-16(13-24-20(15)18)21(28)27(25-19)14-5-2-1-3-6-14;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h3-6,11-12,26H,7-10H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-3,5-8,13,23,25H,4,9-12H2;1-7,12,23H,8-11H2
InChIKeyZXBUPQUYLNJWEG-UHFFFAOYSA-N
MW1540.70 g/mol
LogP11.53
Rot. Bonds9

About 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161369233) has the molecular formula C85H81F4N19O6 and a molecular weight of 1540.70 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID161369233
Molecular FormulaC85H81F4N19O6
Molecular Weight1540.70 g/mol
Exact Mass1539.66
IUPAC Name7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4c(F)c(N5CCN(C)CC5)c(F)cc43)c2=O)cc1.Cc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C22H21F2N5O2.C22H23N5O.C21H20FN5O.C20H17FN4O2/c1-27-7-9-28(10-8-27)21-17(23)11-15-19-16(12-25-20(15)18(21)24)22(30)29(26-19)13-3-5-14(31-2)6-4-13;1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;22-18-17(26-11-4-9-23-10-12-26)8-7-15-19-16(13-24-20(15)18)21(28)27(25-19)14-5-2-1-3-6-14;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h3-6,11-12,26H,7-10H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-3,5-8,13,23,25H,4,9-12H2;1-7,12,23H,8-11H2
InChIKeyZXBUPQUYLNJWEG-UHFFFAOYSA-N
XLogP11.53
TPSA261.44 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.70
LogP ≤ 511.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161369233) is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4c(F)c(N5CCN(C)CC5)c(F)cc43)c2=O)cc1.Cc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is ZXBUPQUYLNJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2.C22H23N5O.C21H20FN5O.C20H17FN4O2/c1-27-7-9-28(10-8-27)21-17(23)11-15-19-16(12-25-20(15)18(21)24)22(30)29(26-19)13-3-5-14(31-2)6-4-13;1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;22-18-17(26-11-4-9-23-10-12-26)8-7-15-19-16(13-24-20(15)18)21(28)27(25-19)14-5-2-1-3-6-14;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h3-6,11-12,26H,7-10H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-3,5-8,13,23,25H,4,9-12H2;1-7,12,23H,8-11H2.
What are the key properties of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1540.70 g/mol, XLogP of 11.53, 9 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-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-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161369233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).