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

C16H10ClN3O — CID 10379792

IUPAC8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
InChIKeyOBTDJVGGHIPJAN-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.52
Rot. Bonds1

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

8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10379792) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10379792
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
InChIKeyOBTDJVGGHIPJAN-UHFFFAOYSA-N
XLogP3.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.52
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 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10379792) is 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is OBTDJVGGHIPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H.
What are the key properties of 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 295.73 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10379792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).