4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

C13H12ClN3O — CID 71741582

IUPAC4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(Cl)c2c1
InChIInChI=1S/C13H12ClN3O/c1-6-4-8(18-3)5-9-11(14)10-7(2)16-17-13(10)15-12(6)9/h4-5H,1-3H3,(H,15,16,17)
InChIKeyAZNWEAFXYUHNGU-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.39
Rot. Bonds1

About 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 71741582) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID71741582
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(Cl)c2c1
InChIInChI=1S/C13H12ClN3O/c1-6-4-8(18-3)5-9-11(14)10-7(2)16-17-13(10)15-12(6)9/h4-5H,1-3H3,(H,15,16,17)
InChIKeyAZNWEAFXYUHNGU-UHFFFAOYSA-N
XLogP3.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (CID 71741582) is 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is AZNWEAFXYUHNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-6-4-8(18-3)5-9-11(14)10-7(2)16-17-13(10)15-12(6)9/h4-5H,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 261.71 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 71741582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).