4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride

C17H24ClN5O — CID 90678694

IUPAC4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
SMILESCc1[nH]n(C)c2nc3cc(=O)ccc3c(NCCCN(C)C)c12.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-11-15-16(18-8-5-9-21(2)3)13-7-6-12(23)10-14(13)19-17(15)22(4)20-11;/h6-7,10,18,20H,5,8-9H2,1-4H3;1H
InChIKeyCLWIBPUKUXBGMT-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.51
Rot. Bonds5

About 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride

4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride (PubChem CID 90678694) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
PubChem CID90678694
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
SMILESCc1[nH]n(C)c2nc3cc(=O)ccc3c(NCCCN(C)C)c12.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-11-15-16(18-8-5-9-21(2)3)13-7-6-12(23)10-14(13)19-17(15)22(4)20-11;/h6-7,10,18,20H,5,8-9H2,1-4H3;1H
InChIKeyCLWIBPUKUXBGMT-UHFFFAOYSA-N
XLogP2.51
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 54606894
N-[1,3-dimethyl-7-(trifluoromethyl)pyrazolo[3,4-b]quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678665
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
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]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
CID 21142410
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212
N-(1,3-dimethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678241
N-[2-(1-benzofuran-2-yl)-7-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69069935

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride (CID 90678694) is 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride is Cc1[nH]n(C)c2nc3cc(=O)ccc3c(NCCCN(C)C)c12.Cl.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride?
The InChIKey is CLWIBPUKUXBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-11-15-16(18-8-5-9-21(2)3)13-7-6-12(23)10-14(13)19-17(15)22(4)20-11;/h6-7,10,18,20H,5,8-9H2,1-4H3;1H.
What are the key properties of 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride?
4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride is sourced from PubChem (CID 90678694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).