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

C13H12ClN3O2 — CID 23647210

IUPAC6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C13H12ClN3O2/c1-7-11-12(18)9-6-8(14)4-5-10(9)17(19-3)13(11)16(2)15-7/h4-6H,1-3H3
InChIKeyUGJQBWIIAFCWJL-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.91
Rot. Bonds1

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

6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647210) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647210
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one
SMILESCOn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C13H12ClN3O2/c1-7-11-12(18)9-6-8(14)4-5-10(9)17(19-3)13(11)16(2)15-7/h4-6H,1-3H3
InChIKeyUGJQBWIIAFCWJL-UHFFFAOYSA-N
XLogP1.91
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one (CID 23647210) is 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is COn1c2ccc(Cl)cc2c(=O)c2c(C)nn(C)c21.
What is the InChIKey of 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is UGJQBWIIAFCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-11-12(18)9-6-8(14)4-5-10(9)17(19-3)13(11)16(2)15-7/h4-6H,1-3H3.
What are the key properties of 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one?
6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 277.71 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-methoxy-1,3-dimethylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).