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

C12H10ClN3 — CID 46239636

IUPAC6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3c(C)cc(Cl)cc3cc12
InChIInChI=1S/C12H10ClN3/c1-6-3-9(13)4-8-5-10-7(2)15-16-12(10)14-11(6)8/h3-5H,1-2H3,(H,14,15,16)
InChIKeyJGKXXUXMHUKJGW-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.38
Rot. Bonds

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

6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 46239636) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID46239636
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3c(C)cc(Cl)cc3cc12
InChIInChI=1S/C12H10ClN3/c1-6-3-9(13)4-8-5-10-7(2)15-16-12(10)14-11(6)8/h3-5H,1-2H3,(H,14,15,16)
InChIKeyJGKXXUXMHUKJGW-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (CID 46239636) is 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is Cc1[nH]nc2nc3c(C)cc(Cl)cc3cc12.
What is the InChIKey of 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is JGKXXUXMHUKJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-6-3-9(13)4-8-5-10-7(2)15-16-12(10)14-11(6)8/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 231.69 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 46239636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).