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

C16H9ClFN3O — CID 58189270

IUPAC7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(Cl)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C16H9ClFN3O/c17-12-7-14-10(6-13(12)18)15-11(8-19-14)16(22)21(20-15)9-4-2-1-3-5-9/h1-8,20H
InChIKeyIKBVQNUZMNHBCA-UHFFFAOYSA-N
MW313.72 g/mol
LogP3.66
Rot. Bonds1

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

7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 58189270) has the molecular formula C16H9ClFN3O and a molecular weight of 313.72 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID58189270
Molecular FormulaC16H9ClFN3O
Molecular Weight313.72 g/mol
Exact Mass313.04
IUPAC Name7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3cc(Cl)c(F)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C16H9ClFN3O/c17-12-7-14-10(6-13(12)18)15-11(8-19-14)16(22)21(20-15)9-4-2-1-3-5-9/h1-8,20H
InChIKeyIKBVQNUZMNHBCA-UHFFFAOYSA-N
XLogP3.66
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 58189270) is 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3cc(Cl)c(F)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is IKBVQNUZMNHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O/c17-12-7-14-10(6-13(12)18)15-11(8-19-14)16(22)21(20-15)9-4-2-1-3-5-9/h1-8,20H.
What are the key properties of 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 313.72 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 58189270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).