5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline

C12H13N3 — CID 82397738

IUPAC5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
SMILESCCc1cccc2c1Nc1cn[nH]c1C2
InChIInChI=1S/C12H13N3/c1-2-8-4-3-5-9-6-10-11(7-13-15-10)14-12(8)9/h3-5,7,14H,2,6H2,1H3,(H,13,15)
InChIKeyZAQOKJDJMZBPBN-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.62
Rot. Bonds1

About 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline

5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline (PubChem CID 82397738) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline.

Molecular Properties

Compound Name5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
PubChem CID82397738
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
SMILESCCc1cccc2c1Nc1cn[nH]c1C2
InChIInChI=1S/C12H13N3/c1-2-8-4-3-5-9-6-10-11(7-13-15-10)14-12(8)9/h3-5,7,14H,2,6H2,1H3,(H,13,15)
InChIKeyZAQOKJDJMZBPBN-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The IUPAC name of 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline (CID 82397738) is 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline.
What is the SMILES notation for 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The canonical SMILES for 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline is CCc1cccc2c1Nc1cn[nH]c1C2.
What is the InChIKey of 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The InChIKey is ZAQOKJDJMZBPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-8-4-3-5-9-6-10-11(7-13-15-10)14-12(8)9/h3-5,7,14H,2,6H2,1H3,(H,13,15).
What are the key properties of 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline has a molecular weight of 199.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline is sourced from PubChem (CID 82397738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).