1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone

C19H22N2O — CID 3191782

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
SMILESO=C(CNCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(15-20-13-12-16-7-2-1-3-8-16)21-14-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11,20H,6,10,12-15H2
InChIKeyRGWBNMAFYADTKN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.80
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone (PubChem CID 3191782) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
PubChem CID3191782
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
SMILESO=C(CNCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(15-20-13-12-16-7-2-1-3-8-16)21-14-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11,20H,6,10,12-15H2
InChIKeyRGWBNMAFYADTKN-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-phenylethylamino)ethanone
CID 10544135
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone (CID 3191782) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone is O=C(CNCCc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone?
The InChIKey is RGWBNMAFYADTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(15-20-13-12-16-7-2-1-3-8-16)21-14-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11,20H,6,10,12-15H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone has a molecular weight of 294.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone is sourced from PubChem (CID 3191782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).