8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one

C12H10ClN3O2 — CID 23442496

IUPAC8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
SMILESCOc1ccc(Cl)c2c(=O)c3c(cnn3C)[nH]c12
InChIInChI=1S/C12H10ClN3O2/c1-16-11-7(5-14-16)15-10-8(18-2)4-3-6(13)9(10)12(11)17/h3-5H,1-2H3,(H,15,17)
InChIKeyFXGSPCFTROFWLA-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.08
Rot. Bonds1

About 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one

8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one (PubChem CID 23442496) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
PubChem CID23442496
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one
SMILESCOc1ccc(Cl)c2c(=O)c3c(cnn3C)[nH]c12
InChIInChI=1S/C12H10ClN3O2/c1-16-11-7(5-14-16)15-10-8(18-2)4-3-6(13)9(10)12(11)17/h3-5H,1-2H3,(H,15,17)
InChIKeyFXGSPCFTROFWLA-UHFFFAOYSA-N
XLogP2.08
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one (CID 23442496) is 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one is COc1ccc(Cl)c2c(=O)c3c(cnn3C)[nH]c12.
What is the InChIKey of 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
The InChIKey is FXGSPCFTROFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-16-11-7(5-14-16)15-10-8(18-2)4-3-6(13)9(10)12(11)17/h3-5H,1-2H3,(H,15,17).
What are the key properties of 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one?
8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one has a molecular weight of 263.68 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-1-methyl-4H-pyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 23442496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).