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

C13H12ClN3O2 — CID 23647216

IUPAC6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
SMILESCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C13H12ClN3O2/c1-3-9-11-12(18)8-6-7(14)4-5-10(8)17(19)13(11)16(2)15-9/h4-6,19H,3H2,1-2H3
InChIKeyURAJOBRLDNUOOE-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.34
Rot. Bonds1

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

6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647216) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647216
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
SMILESCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C13H12ClN3O2/c1-3-9-11-12(18)8-6-7(14)4-5-10(8)17(19)13(11)16(2)15-9/h4-6,19H,3H2,1-2H3
InChIKeyURAJOBRLDNUOOE-UHFFFAOYSA-N
XLogP2.34
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.34
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-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one (CID 23647216) is 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one is CCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is URAJOBRLDNUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-3-9-11-12(18)8-6-7(14)4-5-10(8)17(19)13(11)16(2)15-9/h4-6,19H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 277.71 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).