2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H10ClN3O — CID 13093668

IUPAC2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClN3O/c17-10-4-3-5-11(8-10)20-16(21)13-9-18-14-7-2-1-6-12(14)15(13)19-20/h1-9,19H
InChIKeyRCVRHWNFIFZBEA-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.52
Rot. Bonds1

About 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 13093668) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID13093668
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClN3O/c17-10-4-3-5-11(8-10)20-16(21)13-9-18-14-7-2-1-6-12(14)15(13)19-20/h1-9,19H
InChIKeyRCVRHWNFIFZBEA-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 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 13093668) is 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccccc3c2[nH]n1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is RCVRHWNFIFZBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-10-4-3-5-11(8-10)20-16(21)13-9-18-14-7-2-1-6-12(14)15(13)19-20/h1-9,19H.
What are the key properties of 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(3-chlorophenyl)-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 2-(3-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 13093668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).