5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride

C13H24ClN3 — CID 141129379

IUPAC5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride
SMILESCCCN1CCCC2C=C3NNCC3CC21.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h7,10-11,13-15H,2-6,8-9H2,1H3;1H
InChIKeyUUVSQAFYUWJCDO-UHFFFAOYSA-N
MW257.81 g/mol
LogP1.91
Rot. Bonds2

About 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride

5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride (PubChem CID 141129379) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride.

Molecular Properties

Compound Name5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride
PubChem CID141129379
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Name5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride
SMILESCCCN1CCCC2C=C3NNCC3CC21.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h7,10-11,13-15H,2-6,8-9H2,1H3;1H
InChIKeyUUVSQAFYUWJCDO-UHFFFAOYSA-N
XLogP1.91
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride with MolForge

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Related Compounds

[Cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 106649495
5-Propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline
CID 141129380
7-(2-Methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 169193178

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride?
The IUPAC name of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride (CID 141129379) is 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride.
What is the SMILES notation for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride?
The canonical SMILES for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride is CCCN1CCCC2C=C3NNCC3CC21.Cl.
What is the InChIKey of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride?
The InChIKey is UUVSQAFYUWJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h7,10-11,13-15H,2-6,8-9H2,1H3;1H.
What are the key properties of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride?
5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride is sourced from PubChem (CID 141129379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).