2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

C14H20N2O2 — CID 82257753

IUPAC2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-18-8-7-15-10-14(17)12-4-5-13-11(9-12)3-2-6-16-13/h4-5,9,15-16H,2-3,6-8,10H2,1H3
InChIKeyDWJOWRJVNHTTOX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 82257753) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID82257753
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-18-8-7-15-10-14(17)12-4-5-13-11(9-12)3-2-6-16-13/h4-5,9,15-16H,2-3,6-8,10H2,1H3
InChIKeyDWJOWRJVNHTTOX-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257747
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79814554

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 82257753) is 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is COCCNCC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is DWJOWRJVNHTTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-8-7-15-10-14(17)12-4-5-13-11(9-12)3-2-6-16-13/h4-5,9,15-16H,2-3,6-8,10H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 82257753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).