N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide

C17H24N4O2 — CID 120661382

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(=O)N2CCCc3ccccc32)CCO1
InChIInChI=1S/C17H24N4O2/c1-13-12-20(9-10-23-13)17(18)19-11-16(22)21-8-4-6-14-5-2-3-7-15(14)21/h2-3,5,7,13H,4,6,8-12H2,1H3,(H2,18,19)
InChIKeyZJWJJRNNDUMLIN-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.00
Rot. Bonds2

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661382) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661382
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(=O)N2CCCc3ccccc32)CCO1
InChIInChI=1S/C17H24N4O2/c1-13-12-20(9-10-23-13)17(18)19-11-16(22)21-8-4-6-14-5-2-3-7-15(14)21/h2-3,5,7,13H,4,6,8-12H2,1H3,(H2,18,19)
InChIKeyZJWJJRNNDUMLIN-UHFFFAOYSA-N
XLogP1.00
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
1-butyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]guanidine
CID 111079017
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine
CID 111079047
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111079025
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 120661506
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726127

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide (CID 120661382) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(=O)N2CCCc3ccccc32)CCO1.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is ZJWJJRNNDUMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-12-20(9-10-23-13)17(18)19-11-16(22)21-8-4-6-14-5-2-3-7-15(14)21/h2-3,5,7,13H,4,6,8-12H2,1H3,(H2,18,19).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 316.40 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).