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

C21H19FN4O3 — CID 163686732

IUPAC7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccncc1CC(=O)CCn1c(=O)c2cnn(C)c2c2ccc(F)cc21
InChIInChI=1S/C21H19FN4O3/c1-25-20-16-4-3-14(22)10-18(16)26(21(28)17(20)12-24-25)8-6-15(27)9-13-11-23-7-5-19(13)29-2/h3-5,7,10-12H,6,8-9H2,1-2H3
InChIKeyJPMSGDHYOMBZML-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.63
Rot. Bonds6

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

7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one (PubChem CID 163686732) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
PubChem CID163686732
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ccncc1CC(=O)CCn1c(=O)c2cnn(C)c2c2ccc(F)cc21
InChIInChI=1S/C21H19FN4O3/c1-25-20-16-4-3-14(22)10-18(16)26(21(28)17(20)12-24-25)8-6-15(27)9-13-11-23-7-5-19(13)29-2/h3-5,7,10-12H,6,8-9H2,1-2H3
InChIKeyJPMSGDHYOMBZML-UHFFFAOYSA-N
XLogP2.63
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163571056
5-[4-(2,4-difluorophenyl)-3-oxobutyl]-1-methyl-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-4-one
CID 163431644
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
2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
CID 162504785
N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
CID 162504782
7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one
CID 163532044
3-(iodomethyl)-4-methoxypyridine
CID 130559780
N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882640
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
cyclohexyl-(6-fluoro-1-methylpyrazolo[4,5-b]indol-4-yl)methanone
CID 164524659
5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 2445448
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one (CID 163686732) is 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one is COc1ccncc1CC(=O)CCn1c(=O)c2cnn(C)c2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
The InChIKey is JPMSGDHYOMBZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-25-20-16-4-3-14(22)10-18(16)26(21(28)17(20)12-24-25)8-6-15(27)9-13-11-23-7-5-19(13)29-2/h3-5,7,10-12H,6,8-9H2,1-2H3.
What are the key properties of 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one?
7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one has a molecular weight of 394.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 163686732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).