N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide

C14H18N4O — CID 43209669

IUPACN'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H18N4O/c1-18(8-6-14(15)17-19)10-11-4-5-13-12(9-11)3-2-7-16-13/h2-5,7,9,19H,6,8,10H2,1H3,(H2,15,17)
InChIKeyBIXIMPLUWJPBRU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds5

About N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide

N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide (PubChem CID 43209669) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
PubChem CID43209669
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
SMILESCN(CC/C(N)=N/O)Cc1ccc2ncccc2c1
InChIInChI=1S/C14H18N4O/c1-18(8-6-14(15)17-19)10-11-4-5-13-12(9-11)3-2-7-16-13/h2-5,7,9,19H,6,8,10H2,1H3,(H2,15,17)
InChIKeyBIXIMPLUWJPBRU-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
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

4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
CID 76987444
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 43186214
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-(2-fluorophenyl)-2-[methyl(quinolin-6-ylmethyl)amino]acetamide
CID 134702606
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide (CID 43209669) is N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide is CN(CC/C(N)=N/O)Cc1ccc2ncccc2c1.
What is the InChIKey of N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide?
The InChIKey is BIXIMPLUWJPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(8-6-14(15)17-19)10-11-4-5-13-12(9-11)3-2-7-16-13/h2-5,7,9,19H,6,8,10H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 43209669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).