(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride

C13H22ClN3 — CID 68652391

IUPAC(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
SMILESCCCN1CCCC2Cc3[nH]ncc3C[C@H]21.Cl
InChIInChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10?,13-;/m1./s1
InChIKeyHJHVRVJTYPKTHX-XTBNCEIVSA-N
MW255.79 g/mol
LogP2.42
Rot. Bonds2

About (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride

(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride (PubChem CID 68652391) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride.

Molecular Properties

Compound Name(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
PubChem CID68652391
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
SMILESCCCN1CCCC2Cc3[nH]ncc3C[C@H]21.Cl
InChIInChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10?,13-;/m1./s1
InChIKeyHJHVRVJTYPKTHX-XTBNCEIVSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride with MolForge

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Related Compounds

(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 70313944
(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 56635030
(4aS,8aS)-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline-5-carbonitrile
CID 56612748
ethyl (4aR,7R,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline-7-carboxylate
CID 90296633
(4aS,8aS)-5-propyl-1,4,4a,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinolin-2-one
CID 18607411
(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
CID 18640057
N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
CID 14837425
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 13457870
(4aR,8aR)-2-bromo-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;hydrochloride
CID 67935523
(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
CID 67935585
6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 13340656

Frequently Asked Questions

What is the IUPAC name of (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride?
The IUPAC name of (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride (CID 68652391) is (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride.
What is the SMILES notation for (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride?
The canonical SMILES for (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride is CCCN1CCCC2Cc3[nH]ncc3C[C@H]21.Cl.
What is the InChIKey of (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride?
The InChIKey is HJHVRVJTYPKTHX-XTBNCEIVSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10?,13-;/m1./s1.
What are the key properties of (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride?
(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride is sourced from PubChem (CID 68652391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).