5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline

C10H7Cl2N3 — CID 96591681

IUPAC5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
SMILESClc1ccc2c(c1Cl)Nc1cn[nH]c1C2
InChIInChI=1S/C10H7Cl2N3/c11-6-2-1-5-3-7-8(4-13-15-7)14-10(5)9(6)12/h1-2,4,14H,3H2,(H,13,15)
InChIKeyIKLSVDHUTKKRGQ-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.36
Rot. Bonds

About 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline

5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline (PubChem CID 96591681) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline.

Molecular Properties

Compound Name5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
PubChem CID96591681
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline
SMILESClc1ccc2c(c1Cl)Nc1cn[nH]c1C2
InChIInChI=1S/C10H7Cl2N3/c11-6-2-1-5-3-7-8(4-13-15-7)14-10(5)9(6)12/h1-2,4,14H,3H2,(H,13,15)
InChIKeyIKLSVDHUTKKRGQ-UHFFFAOYSA-N
XLogP3.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The IUPAC name of 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline (CID 96591681) is 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline.
What is the SMILES notation for 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The canonical SMILES for 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline is Clc1ccc2c(c1Cl)Nc1cn[nH]c1C2.
What is the InChIKey of 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
The InChIKey is IKLSVDHUTKKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-6-2-1-5-3-7-8(4-13-15-7)14-10(5)9(6)12/h1-2,4,14H,3H2,(H,13,15).
What are the key properties of 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline?
5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline has a molecular weight of 240.09 g/mol, XLogP of 3.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-4,9-dihydro-1H-pyrazolo[4,5-b]quinoline is sourced from PubChem (CID 96591681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).