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

C12H10ClN3 — CID 15816908

IUPAC4-chloro-1-ethylpyrazolo[3,4-b]quinoline
SMILESCCn1ncc2c(Cl)c3ccccc3nc21
InChIInChI=1S/C12H10ClN3/c1-2-16-12-9(7-14-16)11(13)8-5-3-4-6-10(8)15-12/h3-7H,2H2,1H3
InChIKeyLJTOHIXDZXXXKP-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.26
Rot. Bonds1

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

4-chloro-1-ethylpyrazolo[3,4-b]quinoline (PubChem CID 15816908) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazolo[3,4-b]quinoline
PubChem CID15816908
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-1-ethylpyrazolo[3,4-b]quinoline
SMILESCCn1ncc2c(Cl)c3ccccc3nc21
InChIInChI=1S/C12H10ClN3/c1-2-16-12-9(7-14-16)11(13)8-5-3-4-6-10(8)15-12/h3-7H,2H2,1H3
InChIKeyLJTOHIXDZXXXKP-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-1-ethylpyrazolo[3,4-b]quinoline (CID 15816908) is 4-chloro-1-ethylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-1-ethylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-1-ethylpyrazolo[3,4-b]quinoline is CCn1ncc2c(Cl)c3ccccc3nc21.
What is the InChIKey of 4-chloro-1-ethylpyrazolo[3,4-b]quinoline?
The InChIKey is LJTOHIXDZXXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-2-16-12-9(7-14-16)11(13)8-5-3-4-6-10(8)15-12/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-1-ethylpyrazolo[3,4-b]quinoline?
4-chloro-1-ethylpyrazolo[3,4-b]quinoline has a molecular weight of 231.69 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 15816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).