N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride

C18H26ClN5 — CID 54606894

IUPACN',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
SMILESCc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1.Cl
InChIInChI=1S/C18H25N5.ClH/c1-12-7-8-14-15(11-12)20-18-16(13(2)21-23(18)5)17(14)19-9-6-10-22(3)4;/h7-8,11H,6,9-10H2,1-5H3,(H,19,20);1H
InChIKeyZBYIZASPCAXIFS-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.52
Rot. Bonds5

About N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride

N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride (PubChem CID 54606894) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
PubChem CID54606894
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC NameN',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
SMILESCc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1.Cl
InChIInChI=1S/C18H25N5.ClH/c1-12-7-8-14-15(11-12)20-18-16(13(2)21-23(18)5)17(14)19-9-6-10-22(3)4;/h7-8,11H,6,9-10H2,1-5H3,(H,19,20);1H
InChIKeyZBYIZASPCAXIFS-UHFFFAOYSA-N
XLogP3.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dimethyl-7-(trifluoromethyl)pyrazolo[3,4-b]quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678665
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678243
4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
CID 90678694
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
N-(1,3-dimethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678241
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
CID 90678436
N-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 90678705
1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
CID 90678470
4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
CID 21142410
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride (CID 54606894) is N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride is Cc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1.Cl.
What is the InChIKey of N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is ZBYIZASPCAXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.ClH/c1-12-7-8-14-15(11-12)20-18-16(13(2)21-23(18)5)17(14)19-9-6-10-22(3)4;/h7-8,11H,6,9-10H2,1-5H3,(H,19,20);1H.
What are the key properties of N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride?
N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 54606894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).