8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H11BrFN3O2 — CID 134508233

IUPAC8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O
InChIInChI=1S/C17H11BrFN3O2/c1-24-14-5-3-2-4-13(14)22-17(23)11-8-20-16-10(15(11)21-22)6-9(18)7-12(16)19/h2-8,21H,1H3
InChIKeyWZEZVIPLNDNZQG-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.78
Rot. Bonds2

About 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508233) has the molecular formula C17H11BrFN3O2 and a molecular weight of 388.20 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508233
Molecular FormulaC17H11BrFN3O2
Molecular Weight388.20 g/mol
Exact Mass387.00
IUPAC Name8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O
InChIInChI=1S/C17H11BrFN3O2/c1-24-14-5-3-2-4-13(14)22-17(23)11-8-20-16-10(15(11)21-22)6-9(18)7-12(16)19/h2-8,21H,1H3
InChIKeyWZEZVIPLNDNZQG-UHFFFAOYSA-N
XLogP3.78
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
2-(4-methoxyphenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273071
8-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 9951236
8-Methoxy-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 10039909
7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10424361
2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13093687
7-Bromo-2,5-dihydro-2-(4-methoxyphenyl)-3H-pyrazolo[4,3-c]quinolin-3-one
CID 124111379
2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10266271
2-(2-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13093674
2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 11779026
2-phenyl-6-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10451594
8-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111357

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508233) is 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O.
What is the InChIKey of 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is WZEZVIPLNDNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O2/c1-24-14-5-3-2-4-13(14)22-17(23)11-8-20-16-10(15(11)21-22)6-9(18)7-12(16)19/h2-8,21H,1H3.
What are the key properties of 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 388.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).