4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline

C12H10ClN3 — CID 13448999

IUPAC4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline
SMILESCc1nn(C)c2nc3ccccc3c(Cl)c12
InChIInChI=1S/C12H10ClN3/c1-7-10-11(13)8-5-3-4-6-9(8)14-12(10)16(2)15-7/h3-6H,1-2H3
InChIKeyCLRNUDVGJVDYTG-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.08
Rot. Bonds

About 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline

4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline (PubChem CID 13448999) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline
PubChem CID13448999
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline
SMILESCc1nn(C)c2nc3ccccc3c(Cl)c12
InChIInChI=1S/C12H10ClN3/c1-7-10-11(13)8-5-3-4-6-9(8)14-12(10)16(2)15-7/h3-6H,1-2H3
InChIKeyCLRNUDVGJVDYTG-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline (CID 13448999) is 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline is Cc1nn(C)c2nc3ccccc3c(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline?
The InChIKey is CLRNUDVGJVDYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-7-10-11(13)8-5-3-4-6-9(8)14-12(10)16(2)15-7/h3-6H,1-2H3.
What are the key properties of 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline?
4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline has a molecular weight of 231.69 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 13448999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).