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

C24H18FN3O2 — CID 52914154

IUPAC2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(Cn2cc3c(=O)n(-c4ccccc4F)nc-3c3ccccc32)cc1
InChIInChI=1S/C24H18FN3O2/c1-30-17-12-10-16(11-13-17)14-27-15-19-23(18-6-2-4-8-21(18)27)26-28(24(19)29)22-9-5-3-7-20(22)25/h2-13,15H,14H2,1H3
InChIKeyFTGRAOLEHSWOFD-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.49
Rot. Bonds4

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

2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (PubChem CID 52914154) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
PubChem CID52914154
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(Cn2cc3c(=O)n(-c4ccccc4F)nc-3c3ccccc32)cc1
InChIInChI=1S/C24H18FN3O2/c1-30-17-12-10-16(11-13-17)14-27-15-19-23(18-6-2-4-8-21(18)27)26-28(24(19)29)22-9-5-3-7-20(22)25/h2-13,15H,14H2,1H3
InChIKeyFTGRAOLEHSWOFD-UHFFFAOYSA-N
XLogP4.49
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
CID 2952426
8-fluoro-5-(4-fluorobenzyl)-2-(3-methoxybenzyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 20918677
2-[(2,4-Dimethylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 118724605
[4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164610360
[4-[3-(3-Fluoro-4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164618519
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
3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 139227278
5-[(4-Methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-c]quinolin-3-one
CID 145969614
4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 164612679
(4Z)-4-[(4-ethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
CID 5992749
(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
CID 15263288

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (CID 52914154) is 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is COc1ccc(Cn2cc3c(=O)n(-c4ccccc4F)nc-3c3ccccc32)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is FTGRAOLEHSWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c1-30-17-12-10-16(11-13-17)14-27-15-19-23(18-6-2-4-8-21(18)27)26-28(24(19)29)22-9-5-3-7-20(22)25/h2-13,15H,14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 399.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 52914154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).