4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide

C20H30N4O3 — CID 111958703

IUPAC4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCOc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H30N4O3/c1-3-26-16-8-11-24(12-9-16)20(21-2)22-10-13-27-17-5-6-18-15(14-17)4-7-19(25)23-18/h5-6,14,16H,3-4,7-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyRBZGFOPHFMYXFD-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.03
Rot. Bonds6

About 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide (PubChem CID 111958703) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide
PubChem CID111958703
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCOc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H30N4O3/c1-3-26-16-8-11-24(12-9-16)20(21-2)22-10-13-27-17-5-6-18-15(14-17)4-7-19(25)23-18/h5-6,14,16H,3-4,7-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyRBZGFOPHFMYXFD-UHFFFAOYSA-N
XLogP2.03
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526654
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
4-ethoxy-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958874
N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480014
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249
2-methyl-1-(5-methylhexan-2-yl)-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111204252
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111057766
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111182136
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362
6-[4-[4-(ethylaminomethyl)piperidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119646080
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide (CID 111958703) is 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCCOc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide?
The InChIKey is RBZGFOPHFMYXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-26-16-8-11-24(12-9-16)20(21-2)22-10-13-27-17-5-6-18-15(14-17)4-7-19(25)23-18/h5-6,14,16H,3-4,7-13H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide has a molecular weight of 374.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111958703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).