4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline

C10H9N3 — CID 149253865

IUPAC4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline
SMILESC1=CC2=CC3=NN=CC3NC2C=C1
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-9-10(12-8)6-11-13-9/h1-6,8,10,12H
InChIKeyQBWPEKYJSPDSOM-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.82
Rot. Bonds

About 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline

4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline (PubChem CID 149253865) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline.

Molecular Properties

Compound Name4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline
PubChem CID149253865
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline
SMILESC1=CC2=CC3=NN=CC3NC2C=C1
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-9-10(12-8)6-11-13-9/h1-6,8,10,12H
InChIKeyQBWPEKYJSPDSOM-UHFFFAOYSA-N
XLogP0.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline?
The IUPAC name of 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline (CID 149253865) is 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline.
What is the SMILES notation for 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline?
The canonical SMILES for 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline is C1=CC2=CC3=NN=CC3NC2C=C1.
What is the InChIKey of 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline?
The InChIKey is QBWPEKYJSPDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-9-10(12-8)6-11-13-9/h1-6,8,10,12H.
What are the key properties of 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline?
4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline has a molecular weight of 171.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydro-3aH-pyrazolo[4,3-b]quinoline is sourced from PubChem (CID 149253865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).