N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide

C15H21N3O2 — CID 76926455

IUPACN'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCCc2cc(C)ccc21)C(N)=NO
InChIInChI=1S/C15H21N3O2/c1-3-12(14(16)17-20)15(19)18-8-4-5-11-9-10(2)6-7-13(11)18/h6-7,9,12,20H,3-5,8H2,1-2H3,(H2,16,17)
InChIKeyGTQMIRSWUIUEAB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds3

About N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide

N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide (PubChem CID 76926455) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
PubChem CID76926455
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCCc2cc(C)ccc21)C(N)=NO
InChIInChI=1S/C15H21N3O2/c1-3-12(14(16)17-20)15(19)18-8-4-5-11-9-10(2)6-7-13(11)18/h6-7,9,12,20H,3-5,8H2,1-2H3,(H2,16,17)
InChIKeyGTQMIRSWUIUEAB-UHFFFAOYSA-N
XLogP2.05
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
6-methyl-N'-propyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 62359573
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116674604
3-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119685859

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide (CID 76926455) is N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide is CCC(C(=O)N1CCCc2cc(C)ccc21)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide?
The InChIKey is GTQMIRSWUIUEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12(14(16)17-20)15(19)18-8-4-5-11-9-10(2)6-7-13(11)18/h6-7,9,12,20H,3-5,8H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide?
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide has a molecular weight of 275.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide is sourced from PubChem (CID 76926455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).