1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one

C21H26N2O2 — CID 109025652

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
SMILESCOc1cccc(CCNCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-25-19-9-4-6-17(16-19)11-13-22-14-12-21(24)23-15-5-8-18-7-2-3-10-20(18)23/h2-4,6-7,9-10,16,22H,5,8,11-15H2,1H3
InChIKeySDQICPIBQKMGFH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.20
Rot. Bonds7

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one (PubChem CID 109025652) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
PubChem CID109025652
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
SMILESCOc1cccc(CCNCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-25-19-9-4-6-17(16-19)11-13-22-14-12-21(24)23-15-5-8-18-7-2-3-10-20(18)23/h2-4,6-7,9-10,16,22H,5,8,11-15H2,1H3
InChIKeySDQICPIBQKMGFH-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
3-(2,3-dihydroindol-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948672
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one (CID 109025652) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one is COc1cccc(CCNCCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one?
The InChIKey is SDQICPIBQKMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-19-9-4-6-17(16-19)11-13-22-14-12-21(24)23-15-5-8-18-7-2-3-10-20(18)23/h2-4,6-7,9-10,16,22H,5,8,11-15H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one is sourced from PubChem (CID 109025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).