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

C109H109F3N24O6 — CID 123719338

IUPAC6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.Cc1cc(N2CCC(N(C)C)CC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.Cc1cc(N2CCCNCC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C24H27N5O.C23H24FN5O.C22H23N5O.C20H18FN5O.C20H17FN4O2/c1-16-13-19-22-20(24(30)29(26-22)18-7-5-4-6-8-18)15-25-23(19)21(14-16)28-11-9-17(10-12-28)27(2)3;1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;1-15-12-17-20-18(22(28)27(25-20)16-6-3-2-4-7-16)14-24-21(17)19(13-15)26-10-5-8-23-9-11-26;21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13;21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h4-8,13-15,17,26H,9-12H2,1-3H3;3-7,12-15,26H,8-11H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2
InChIKeyUVHALMGVKWMDPB-UHFFFAOYSA-N
MW1908.23 g/mol
LogP15.48
Rot. Bonds12

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

6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 123719338) has the molecular formula C109H109F3N24O6 and a molecular weight of 1908.23 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID123719338
Molecular FormulaC109H109F3N24O6
Molecular Weight1908.23 g/mol
Exact Mass1906.89
IUPAC Name6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.Cc1cc(N2CCC(N(C)C)CC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.Cc1cc(N2CCCNCC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C24H27N5O.C23H24FN5O.C22H23N5O.C20H18FN5O.C20H17FN4O2/c1-16-13-19-22-20(24(30)29(26-22)18-7-5-4-6-8-18)15-25-23(19)21(14-16)28-11-9-17(10-12-28)27(2)3;1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;1-15-12-17-20-18(22(28)27(25-20)16-6-3-2-4-7-16)14-24-21(17)19(13-15)26-10-5-8-23-9-11-26;21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13;21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h4-8,13-15,17,26H,9-12H2,1-3H3;3-7,12-15,26H,8-11H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2
InChIKeyUVHALMGVKWMDPB-UHFFFAOYSA-N
XLogP15.48
TPSA309.37 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.23
LogP ≤ 515.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 123719338) is 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is CC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.Cc1cc(N2CCC(N(C)C)CC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.Cc1cc(N2CCCNCC2)c2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is UVHALMGVKWMDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C23H24FN5O.C22H23N5O.C20H18FN5O.C20H17FN4O2/c1-16-13-19-22-20(24(30)29(26-22)18-7-5-4-6-8-18)15-25-23(19)21(14-16)28-11-9-17(10-12-28)27(2)3;1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;1-15-12-17-20-18(22(28)27(25-20)16-6-3-2-4-7-16)14-24-21(17)19(13-15)26-10-5-8-23-9-11-26;21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13;21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13/h4-8,13-15,17,26H,9-12H2,1-3H3;3-7,12-15,26H,8-11H2,1-2H3;2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2.
What are the key properties of 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1908.23 g/mol, XLogP of 15.48, 12 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-[4-(dimethylamino)piperidin-1-yl]-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 123719338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).