4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide

C15H21N5O — CID 77017337

IUPAC4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCN(C)CCN(C)c1c(C(N)=NO)cnc2ccccc12
InChIInChI=1S/C15H21N5O/c1-19(2)8-9-20(3)14-11-6-4-5-7-13(11)17-10-12(14)15(16)18-21/h4-7,10,21H,8-9H2,1-3H3,(H2,16,18)
InChIKeyYLHSQMURPWCQKV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide

4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 77017337) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
PubChem CID77017337
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCN(C)CCN(C)c1c(C(N)=NO)cnc2ccccc12
InChIInChI=1S/C15H21N5O/c1-19(2)8-9-20(3)14-11-6-4-5-7-13(11)17-10-12(14)15(16)18-21/h4-7,10,21H,8-9H2,1-3H3,(H2,16,18)
InChIKeyYLHSQMURPWCQKV-UHFFFAOYSA-N
XLogP1.33
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
CID 43669918
4-butan-2-yloxy-N'-hydroxyquinoline-3-carboximidamide
CID 54944051
4-hexoxy-N'-hydroxyquinoline-3-carboximidamide
CID 43669911
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide (CID 77017337) is 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide is CN(C)CCN(C)c1c(C(N)=NO)cnc2ccccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is YLHSQMURPWCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)8-9-20(3)14-11-6-4-5-7-13(11)17-10-12(14)15(16)18-21/h4-7,10,21H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide?
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 77017337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).