8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C20H18FN5O — CID 25124956

IUPAC8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C20H18FN5O/c21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13/h1-5,10-12,22,24H,6-9H2
InChIKeyNXHWEQURQJSXNE-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.42
Rot. Bonds2

About 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 25124956) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID25124956
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C20H18FN5O/c21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13/h1-5,10-12,22,24H,6-9H2
InChIKeyNXHWEQURQJSXNE-UHFFFAOYSA-N
XLogP2.42
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
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-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 25124956) is 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is NXHWEQURQJSXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13/h1-5,10-12,22,24H,6-9H2.
What are the key properties of 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 363.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 25124956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).