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

C12H10ClN3O2 — CID 6540289

IUPAC6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
InChIKeyAYKGPCNWPACUQV-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.09
Rot. Bonds

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

6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 6540289) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
PubChem CID6540289
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3
InChIKeyAYKGPCNWPACUQV-UHFFFAOYSA-N
XLogP2.09
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (CID 6540289) is 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is AYKGPCNWPACUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3.
What are the key properties of 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 263.68 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-hydroxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 6540289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).