1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone

C16H22N2O2 — CID 1439765

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCCO1)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-16(12-17-11-14-7-4-10-20-14)18-9-3-6-13-5-1-2-8-15(13)18/h1-2,5,8,14,17H,3-4,6-7,9-12H2/t14-/m1/s1
InChIKeySELHIZKGVAESJY-CQSZACIVSA-N
MW274.36 g/mol
LogP1.73
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone (PubChem CID 1439765) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
PubChem CID1439765
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@H]1CCCO1)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c19-16(12-17-11-14-7-4-10-20-14)18-9-3-6-13-5-1-2-8-15(13)18/h1-2,5,8,14,17H,3-4,6-7,9-12H2/t14-/m1/s1
InChIKeySELHIZKGVAESJY-CQSZACIVSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
1-[2-[(3S)-1-[2-[[(2R)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702502
1-[2-[(3R)-1-[2-[[(2S)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702530
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
CID 54821154
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
1-[(2S,3R)-2-cyclopropyloxolan-3-yl]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea
CID 124880619
3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365746
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42981628

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone (CID 1439765) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone is O=C(CNC[C@H]1CCCO1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The InChIKey is SELHIZKGVAESJY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(12-17-11-14-7-4-10-20-14)18-9-3-6-13-5-1-2-8-15(13)18/h1-2,5,8,14,17H,3-4,6-7,9-12H2/t14-/m1/s1.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.73, 4 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)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone is sourced from PubChem (CID 1439765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).