7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one

C21H17F2N3O2 — CID 163571056

IUPAC7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)n(CCC(=O)Cc3ccccc3F)c3cc(F)ccc3c21
InChIInChI=1S/C21H17F2N3O2/c1-25-20-16-7-6-14(22)11-19(16)26(21(28)17(20)12-24-25)9-8-15(27)10-13-4-2-3-5-18(13)23/h2-7,11-12H,8-10H2,1H3
InChIKeyJUIFONHMDWOJRI-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.37
Rot. Bonds5

About 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one

7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one (PubChem CID 163571056) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
PubChem CID163571056
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)n(CCC(=O)Cc3ccccc3F)c3cc(F)ccc3c21
InChIInChI=1S/C21H17F2N3O2/c1-25-20-16-7-6-14(22)11-19(16)26(21(28)17(20)12-24-25)9-8-15(27)10-13-4-2-3-5-18(13)23/h2-7,11-12H,8-10H2,1H3
InChIKeyJUIFONHMDWOJRI-UHFFFAOYSA-N
XLogP3.37
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163686732
5-[4-(2,4-difluorophenyl)-3-oxobutyl]-1-methyl-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-4-one
CID 163431644
2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
CID 162504785
5-[4-(2,4-difluorophenyl)-3-oxobutyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one;7-fluoro-5-[4-(2-fluoro-4-trimethylstannylphenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one;2-fluoro-4-iodoaniline;3-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)propanoic acid;2-fluoro-4-trimethylstannylaniline
CID 163776637
N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
CID 162504782
1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
CID 22337656
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
N-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882557
7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 163944623
cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone
CID 164524659
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 163355192
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one (CID 163571056) is 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one is Cn1ncc2c(=O)n(CCC(=O)Cc3ccccc3F)c3cc(F)ccc3c21.
What is the InChIKey of 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The InChIKey is JUIFONHMDWOJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-25-20-16-7-6-14(22)11-19(16)26(21(28)17(20)12-24-25)9-8-15(27)10-13-4-2-3-5-18(13)23/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one has a molecular weight of 381.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 163571056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).