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

C101H90Cl2F2N22O8 — CID 159011575

IUPAC7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccc(Cl)cc4)[nH]c23)CC1.O=c1c2cnc3cc(Cl)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C21H20ClN5O.C20H17ClN4O2.C20H18FN5O.C20H17FN4O2.C20H18N4O2/c1-25-8-10-26(11-9-25)16-6-7-17-19(12-16)23-13-18-20(17)24-27(21(18)28)15-4-2-14(22)3-5-15;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;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;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;25-20-17-13-21-18-7-6-15(23-8-10-26-11-9-23)12-16(18)19(17)22-24(20)14-4-2-1-3-5-14/h2-7,12-13,24H,8-11H2,1H3;1-5,10-12,23H,6-9H2;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2;1-7,12-13,22H,8-11H2
InChIKeyQOHFBJFCZNJELH-UHFFFAOYSA-N
MW1848.88 g/mol
LogP14.59
Rot. Bonds10

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

7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159011575) has the molecular formula C101H90Cl2F2N22O8 and a molecular weight of 1848.88 g/mol. Its IUPAC name is 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID159011575
Molecular FormulaC101H90Cl2F2N22O8
Molecular Weight1848.88 g/mol
Exact Mass1846.67
IUPAC Name7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccc(Cl)cc4)[nH]c23)CC1.O=c1c2cnc3cc(Cl)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C21H20ClN5O.C20H17ClN4O2.C20H18FN5O.C20H17FN4O2.C20H18N4O2/c1-25-8-10-26(11-9-25)16-6-7-17-19(12-16)23-13-18-20(17)24-27(21(18)28)15-4-2-14(22)3-5-15;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;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;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;25-20-17-13-21-18-7-6-15(23-8-10-26-11-9-23)12-16(18)19(17)22-24(20)14-4-2-1-3-5-14/h2-7,12-13,24H,8-11H2,1H3;1-5,10-12,23H,6-9H2;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2;1-7,12-13,22H,8-11H2
InChIKeyQOHFBJFCZNJELH-UHFFFAOYSA-N
XLogP14.59
TPSA312.56 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.88
LogP ≤ 514.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-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-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159011575) is 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccc(Cl)cc4)[nH]c23)CC1.O=c1c2cnc3cc(Cl)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is QOHFBJFCZNJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O.C20H17ClN4O2.C20H18FN5O.C20H17FN4O2.C20H18N4O2/c1-25-8-10-26(11-9-25)16-6-7-17-19(12-16)23-13-18-20(17)24-27(21(18)28)15-4-2-14(22)3-5-15;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;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;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;25-20-17-13-21-18-7-6-15(23-8-10-26-11-9-23)12-16(18)19(17)22-24(20)14-4-2-1-3-5-14/h2-7,12-13,24H,8-11H2,1H3;1-5,10-12,23H,6-9H2;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2;1-7,12-13,22H,8-11H2.
What are the key properties of 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1848.88 g/mol, XLogP of 14.59, 10 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-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-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159011575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).