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

Analyze 4-chloro-1-ethylpyrazolo[3,4-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide
CID 21217689
1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine
CID 19592226
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
4-chloro-1-ethyl-5-methoxypyrazolo[3,4-b]pyridine
CID 70427626
5-(2-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480037
1-ethylpyrazolo[3,4-b]quinolin-3-amine
CID 97057381
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
1-ethyl-5-phenylpyrazol-4-amine
CID 105442691
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
1,6-diethylpyrazolo[3,4-b]pyrazine
CID 166104049
13-chloro-8-ethylindolo[3,2-a]acridine
CID 101484532

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).