6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one

C17H12ClN3O2 — CID 23647236

IUPAC6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C17H12ClN3O2/c1-10-15-16(22)13-9-11(18)7-8-14(13)21(23)17(15)20(19-10)12-5-3-2-4-6-12/h2-9,23H,1H3
InChIKeyNLNVCPSZHKGGDI-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.54
Rot. Bonds1

About 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one

6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647236) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647236
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C17H12ClN3O2/c1-10-15-16(22)13-9-11(18)7-8-14(13)21(23)17(15)20(19-10)12-5-3-2-4-6-12/h2-9,23H,1H3
InChIKeyNLNVCPSZHKGGDI-UHFFFAOYSA-N
XLogP3.54
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one (CID 23647236) is 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one is Cc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is NLNVCPSZHKGGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-10-15-16(22)13-9-11(18)7-8-14(13)21(23)17(15)20(19-10)12-5-3-2-4-6-12/h2-9,23H,1H3.
What are the key properties of 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one?
6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 325.76 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-hydroxy-3-methyl-1-phenylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).