1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

C17H22N2O2 — CID 108505638

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-13-6-4-10-18(12-13)16(20)17(21)19-11-5-8-14-7-2-3-9-15(14)19/h2-3,7,9,13H,4-6,8,10-12H2,1H3
InChIKeyQXRMMWDACUSOGH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 108505638) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID108505638
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-13-6-4-10-18(12-13)16(20)17(21)19-11-5-8-14-7-2-3-9-15(14)19/h2-3,7,9,13H,4-6,8,10-12H2,1H3
InChIKeyQXRMMWDACUSOGH-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 47335819
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 115581852
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111097798
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985988
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)but-2-enoic acid
CID 77069929
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (CID 108505638) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCCN(C(=O)C(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is QXRMMWDACUSOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-4-10-18(12-13)16(20)17(21)19-11-5-8-14-7-2-3-9-15(14)19/h2-3,7,9,13H,4-6,8,10-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 286.37 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 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-(3-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108505638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).