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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one

C53H39F4N9O5 — CID 158921548

IUPAC2-(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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(F)cc3)[nH]c12.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c12
InChIInChI=1S/C18H12F3N3O2.C18H15N3O2.C17H12FN3O/c1-10-2-7-13-15(8-10)22-9-14-16(13)23-24(17(14)25)11-3-5-12(6-4-11)26-18(19,20)21;1-11-6-7-14-16(8-11)19-10-15-17(14)20-21(18(15)22)12-4-3-5-13(9-12)23-2;1-10-2-7-13-15(8-10)19-9-14-16(13)20-21(17(14)22)12-5-3-11(18)4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9,20H,1H3
InChIKeyXKWWXLUFFSHLQQ-UHFFFAOYSA-N
MW957.95 g/mol
LogP10.57
Rot. Bonds5

About 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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158921548) has the molecular formula C53H39F4N9O5 and a molecular weight of 957.95 g/mol. Its IUPAC name is 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID158921548
Molecular FormulaC53H39F4N9O5
Molecular Weight957.95 g/mol
Exact Mass957.30
IUPAC Name2-(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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(F)cc3)[nH]c12.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c12
InChIInChI=1S/C18H12F3N3O2.C18H15N3O2.C17H12FN3O/c1-10-2-7-13-15(8-10)22-9-14-16(13)23-24(17(14)25)11-3-5-12(6-4-11)26-18(19,20)21;1-11-6-7-14-16(8-11)19-10-15-17(14)20-21(18(15)22)12-4-3-5-13(9-12)23-2;1-10-2-7-13-15(8-10)19-9-14-16(13)20-21(17(14)22)12-5-3-11(18)4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9,20H,1H3
InChIKeyXKWWXLUFFSHLQQ-UHFFFAOYSA-N
XLogP10.57
TPSA170.50 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.95
LogP ≤ 510.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

PZ-II-029
CID 10426200
2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10266271
[7-Methoxy-2-(4-methoxy-d3-phenyl)-2,5-dihydro-3h-pyrazolo-[4,3-c]quinolin-3-one]
CID 124111361
7-(Trifluoromethyl)-2-(4-methoxyphenyl)-5H-pyrazolo[4,3-c]quinoline-3(2H)-one
CID 100955385
7-(trideuteriomethoxy)-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111374
2-(4-methoxyphenyl)-7-(trideuteriomethoxy)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111385
2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508189
7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 171344228
N-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53011974
2-(3-fluorophenyl)-7-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 9883114
8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54388981
2-(2-fluorophenyl)-7-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54467324

Frequently Asked Questions

What is the IUPAC name of 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158921548) is 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is COc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(F)cc3)[nH]c12.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)[nH]c12.
What is the InChIKey of 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is XKWWXLUFFSHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2.C18H15N3O2.C17H12FN3O/c1-10-2-7-13-15(8-10)22-9-14-16(13)23-24(17(14)25)11-3-5-12(6-4-11)26-18(19,20)21;1-11-6-7-14-16(8-11)19-10-15-17(14)20-21(18(15)22)12-4-3-5-13(9-12)23-2;1-10-2-7-13-15(8-10)19-9-14-16(13)20-21(17(14)22)12-5-3-11(18)4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9,20H,1H3.
What are the key properties of 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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 957.95 g/mol, XLogP of 10.57, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158921548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).