1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one

C20H24FN5O — CID 23042973

IUPAC1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCN(C)C(c4ccn(C)n4)C3)cc21
InChIInChI=1S/C20H24FN5O/c1-4-25-8-6-20(27)14-11-15(21)18(12-17(14)25)26-10-9-23(2)19(13-26)16-5-7-24(3)22-16/h5-8,11-12,19H,4,9-10,13H2,1-3H3
InChIKeyDYSXWLCUPOZVOV-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.39
Rot. Bonds3

About 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one

1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one (PubChem CID 23042973) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one
PubChem CID23042973
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCN(C)C(c4ccn(C)n4)C3)cc21
InChIInChI=1S/C20H24FN5O/c1-4-25-8-6-20(27)14-11-15(21)18(12-17(14)25)26-10-9-23(2)19(13-26)16-5-7-24(3)22-16/h5-8,11-12,19H,4,9-10,13H2,1-3H3
InChIKeyDYSXWLCUPOZVOV-UHFFFAOYSA-N
XLogP2.39
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 23042971
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 23210440
1-ethyl-6-fluoro-7-[4-methyl-3-(1H-pyrrol-3-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14839385
1-ethyl-6-fluoro-7-[4-methyl-3-(3-methyl-1-benzothiophen-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14839364
6-fluoro-7-(4-methylpiperazin-1-yl)-1-propan-2-yloxyquinolin-4-one
CID 154634949
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 135139864
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 141216800
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21289019
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
7-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 9291696
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one (CID 23042973) is 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one is CCn1ccc(=O)c2cc(F)c(N3CCN(C)C(c4ccn(C)n4)C3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one?
The InChIKey is DYSXWLCUPOZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-4-25-8-6-20(27)14-11-15(21)18(12-17(14)25)26-10-9-23(2)19(13-26)16-5-7-24(3)22-16/h5-8,11-12,19H,4,9-10,13H2,1-3H3.
What are the key properties of 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one?
1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one has a molecular weight of 369.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]quinolin-4-one is sourced from PubChem (CID 23042973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).