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

C23H24FN5O — CID 25124958

IUPAC8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1
InChIInChI=1S/C23H24FN5O/c1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16/h3-7,12-15,26H,8-11H2,1-2H3
InChIKeyHJCDOYZLQOQHQP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.54
Rot. Bonds3

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

8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25124958) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25124958
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1
InChIInChI=1S/C23H24FN5O/c1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16/h3-7,12-15,26H,8-11H2,1-2H3
InChIKeyHJCDOYZLQOQHQP-UHFFFAOYSA-N
XLogP3.54
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25124958) is 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is CC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.
What is the InChIKey of 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is HJCDOYZLQOQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16/h3-7,12-15,26H,8-11H2,1-2H3.
What are the key properties of 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 405.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25124958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).