N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C18H26ClN5 — CID 90678504

IUPACN-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCCn1nc(C)c2c(NCCCN(C)C)c3ccccc3nc21.Cl
InChIInChI=1S/C18H25N5.ClH/c1-5-23-18-16(13(2)21-23)17(19-11-8-12-22(3)4)14-9-6-7-10-15(14)20-18;/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,20);1H
InChIKeyXNOFBTVHLPQJIS-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.70
Rot. Bonds6

About N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 90678504) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID90678504
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC NameN-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCCn1nc(C)c2c(NCCCN(C)C)c3ccccc3nc21.Cl
InChIInChI=1S/C18H25N5.ClH/c1-5-23-18-16(13(2)21-23)17(19-11-8-12-22(3)4)14-9-6-7-10-15(14)20-18;/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,20);1H
InChIKeyXNOFBTVHLPQJIS-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 90678504) is N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is CCn1nc(C)c2c(NCCCN(C)C)c3ccccc3nc21.Cl.
What is the InChIKey of N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is XNOFBTVHLPQJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.ClH/c1-5-23-18-16(13(2)21-23)17(19-11-8-12-22(3)4)14-9-6-7-10-15(14)20-18;/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 90678504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).