3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one

C23H24FN5O — CID 42274290

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1cc(C)n(CCNCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)n1
InChIInChI=1S/C23H24FN5O/c1-16-11-17(2)29(27-16)10-9-25-14-19-12-18-6-7-20(24)13-22(18)28(23(19)30)15-21-5-3-4-8-26-21/h3-8,11-13,25H,9-10,14-15H2,1-2H3
InChIKeyLEEQCXQXFGCZSX-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.19
Rot. Bonds7

About 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one

3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 42274290) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID42274290
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1cc(C)n(CCNCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)n1
InChIInChI=1S/C23H24FN5O/c1-16-11-17(2)29(27-16)10-9-25-14-19-12-18-6-7-20(24)13-22(18)28(23(19)30)15-21-5-3-4-8-26-21/h3-8,11-13,25H,9-10,14-15H2,1-2H3
InChIKeyLEEQCXQXFGCZSX-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 42274290) is 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one is Cc1cc(C)n(CCNCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is LEEQCXQXFGCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-11-17(2)29(27-16)10-9-25-14-19-12-18-6-7-20(24)13-22(18)28(23(19)30)15-21-5-3-4-8-26-21/h3-8,11-13,25H,9-10,14-15H2,1-2H3.
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one?
3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 405.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-7-fluoro-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 42274290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).