8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

C25H19F2N3O2 — CID 20918677

IUPAC8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1
InChIInChI=1S/C25H19F2N3O2/c1-32-20-4-2-3-17(11-20)14-30-25(31)22-15-29(13-16-5-7-18(26)8-6-16)23-10-9-19(27)12-21(23)24(22)28-30/h2-12,15H,13-14H2,1H3
InChIKeyQETRQNGMXMPCNW-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.69
Rot. Bonds5

About 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (PubChem CID 20918677) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
PubChem CID20918677
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1
InChIInChI=1S/C25H19F2N3O2/c1-32-20-4-2-3-17(11-20)14-30-25(31)22-15-29(13-16-5-7-18(26)8-6-16)23-10-9-19(27)12-21(23)24(22)28-30/h2-12,15H,13-14H2,1H3
InChIKeyQETRQNGMXMPCNW-UHFFFAOYSA-N
XLogP4.69
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-5-{[4-(methoxy)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 52914154
2-[(2,4-Dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 118724605
2-{8-Fluoro-5-[(3-methylphenyl)methyl]-3-oxo-2H,3H,5H-pyrazolo[4,3-C]quinolin-2-YL}-N-(2-methoxyphenyl)acetamide
CID 16022621
N-(2-ethoxyphenyl)-2-[8-fluoro-5-[(3-methylphenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]acetamide
CID 16022623
5-[(4-Methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-c]quinolin-3-one
CID 145969614
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 71698795
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
CID 71698877
(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
CID 15263288
2-{5-[(3-Fluorophenyl)methyl]-3-oxo-2H,3H,5H-pyrazolo[4,3-C]quinolin-2-YL}-N-(3-methoxyphenyl)acetamide
CID 16022609
N-[(4-Fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 20970806
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide
CID 71698620
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
CID 71698710

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (CID 20918677) is 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is COc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1.
What is the InChIKey of 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is QETRQNGMXMPCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c1-32-20-4-2-3-17(11-20)14-30-25(31)22-15-29(13-16-5-7-18(26)8-6-16)23-10-9-19(27)12-21(23)24(22)28-30/h2-12,15H,13-14H2,1H3.
What are the key properties of 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 431.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 20918677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).