3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide

C17H22N2O3 — CID 108943685

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CC(=O)N1CCCc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(18-12-14-7-4-10-22-14)11-17(21)19-9-3-6-13-5-1-2-8-15(13)19/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20)
InChIKeyRNJOLYSWWZVYRF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.65
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 108943685) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
PubChem CID108943685
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CC(=O)N1CCCc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(18-12-14-7-4-10-22-14)11-17(21)19-9-3-6-13-5-1-2-8-15(13)19/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20)
InChIKeyRNJOLYSWWZVYRF-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8659450
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
(E)-2-cyano-3-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 126211827
3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365746
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42981628
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54810727
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 51362040
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
CID 54821154

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide (CID 108943685) is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide is O=C(CC(=O)N1CCCc2ccccc21)NCC1CCCO1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RNJOLYSWWZVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(18-12-14-7-4-10-22-14)11-17(21)19-9-3-6-13-5-1-2-8-15(13)19/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 108943685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).