4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride

C16H25ClN4O2 — CID 21142410

IUPAC4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
SMILESCc1nc2cc([NH+]([O-])O)ccc2c(NCCCN(C)C)c1C.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11-12(2)18-15-10-13(20(21)22)6-7-14(15)16(11)17-8-5-9-19(3)4;/h6-7,10,20-21H,5,8-9H2,1-4H3,(H,17,18);1H
InChIKeyOEVIOZHBBQVROH-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.04
Rot. Bonds6

About 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride

4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride (PubChem CID 21142410) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
PubChem CID21142410
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
SMILESCc1nc2cc([NH+]([O-])O)ccc2c(NCCCN(C)C)c1C.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11-12(2)18-15-10-13(20(21)22)6-7-14(15)16(11)17-8-5-9-19(3)4;/h6-7,10,20-21H,5,8-9H2,1-4H3,(H,17,18);1H
InChIKeyOEVIOZHBBQVROH-UHFFFAOYSA-N
XLogP2.04
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 54606894
4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
CID 90678694
N-[1,3-dimethyl-7-(trifluoromethyl)pyrazolo[3,4-b]quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678665
2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
CID 21141972
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
6,7-dimethoxy-2,3-dimethyl-N-propylquinolin-4-amine
CID 62203946
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525062

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride (CID 21142410) is 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride is Cc1nc2cc([NH+]([O-])O)ccc2c(NCCCN(C)C)c1C.Cl.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride?
The InChIKey is OEVIOZHBBQVROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-11-12(2)18-15-10-13(20(21)22)6-7-14(15)16(11)17-8-5-9-19(3)4;/h6-7,10,20-21H,5,8-9H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride?
4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride is sourced from PubChem (CID 21142410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).