2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide

C14H18N4O — CID 77034239

IUPAC2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
SMILESCCN(CC)c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H18N4O/c1-3-18(4-2)14-11(13(15)17-19)9-10-7-5-6-8-12(10)16-14/h5-9,19H,3-4H2,1-2H3,(H2,15,17)
InChIKeyYAXCPUODPAEKMT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.18
Rot. Bonds4

About 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide

2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 77034239) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
PubChem CID77034239
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
SMILESCCN(CC)c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H18N4O/c1-3-18(4-2)14-11(13(15)17-19)9-10-7-5-6-8-12(10)16-14/h5-9,19H,3-4H2,1-2H3,(H2,15,17)
InChIKeyYAXCPUODPAEKMT-UHFFFAOYSA-N
XLogP2.18
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 77034218
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
CID 77034292
N'-hydroxy-2-(2-methylbutylsulfanyl)quinoline-3-carboximidamide
CID 107749761
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
2-[ethyl-(3-methylquinolin-2-yl)amino]ethanol
CID 63228987
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271
N'-hydroxy-2-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 77025099
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
N'-hydroxy-2-imidazol-1-ylquinoline-3-carboximidamide
CID 77025110
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide (CID 77034239) is 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide is CCN(CC)c1nc2ccccc2cc1C(N)=NO.
What is the InChIKey of 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is YAXCPUODPAEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(4-2)14-11(13(15)17-19)9-10-7-5-6-8-12(10)16-14/h5-9,19H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide?
2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 258.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 77034239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).