N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride

C18H26ClN5 — CID 90678432

IUPACN-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
SMILESCc1nn(C)c2nc3ccccc3c(NCCCCN(C)C)c12.Cl
InChIInChI=1S/C18H25N5.ClH/c1-13-16-17(19-11-7-8-12-22(2)3)14-9-5-6-10-15(14)20-18(16)23(4)21-13;/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20);1H
InChIKeyWOXYXEPVUMZRFZ-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.61
Rot. Bonds6

About N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride

N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride (PubChem CID 90678432) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
PubChem CID90678432
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC NameN-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
SMILESCc1nn(C)c2nc3ccccc3c(NCCCCN(C)C)c12.Cl
InChIInChI=1S/C18H25N5.ClH/c1-13-16-17(19-11-7-8-12-22(2)3)14-9-5-6-10-15(14)20-18(16)23(4)21-13;/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20);1H
InChIKeyWOXYXEPVUMZRFZ-UHFFFAOYSA-N
XLogP3.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.61
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

1954U89
CID 177894
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Importazole
CID 2949965
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride?
The IUPAC name of N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride (CID 90678432) is N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride?
The canonical SMILES for N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride is Cc1nn(C)c2nc3ccccc3c(NCCCCN(C)C)c12.Cl.
What is the InChIKey of N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride?
The InChIKey is WOXYXEPVUMZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.ClH/c1-13-16-17(19-11-7-8-12-22(2)3)14-9-5-6-10-15(14)20-18(16)23(4)21-13;/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride?
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride is sourced from PubChem (CID 90678432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).