7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C23H23FN4O — CID 25125300

IUPAC7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1
InChIInChI=1S/C23H23FN4O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3
InChIKeyDDSCKAVGDZIEBY-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.49
Rot. Bonds2

About 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25125300) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25125300
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1
InChIInChI=1S/C23H23FN4O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3
InChIKeyDDSCKAVGDZIEBY-UHFFFAOYSA-N
XLogP4.49
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25125300) is 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CC1CC(C)CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)C1.
What is the InChIKey of 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is DDSCKAVGDZIEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-14-8-15(2)13-27(12-14)21-10-20-17(9-19(21)24)22-18(11-25-20)23(29)28(26-22)16-6-4-3-5-7-16/h3-7,9-11,14-15,26H,8,12-13H2,1-2H3.
What are the key properties of 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 390.46 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25125300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).