methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate

C19H26N2O4 — CID 86913398

IUPACmethyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N2CCCc3cc(OC)ccc32)CC1
InChIInChI=1S/C19H26N2O4/c1-24-16-5-6-17-15(12-16)4-3-9-21(17)18(22)13-20-10-7-14(8-11-20)19(23)25-2/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyJCUCFCPYZDRTGU-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.86
Rot. Bonds4

About methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 86913398) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID86913398
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N2CCCc3cc(OC)ccc32)CC1
InChIInChI=1S/C19H26N2O4/c1-24-16-5-6-17-15(12-16)4-3-9-21(17)18(22)13-20-10-7-14(8-11-20)19(23)25-2/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyJCUCFCPYZDRTGU-UHFFFAOYSA-N
XLogP1.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37473319
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919154
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55853548
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 35137501
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 42042419

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate (CID 86913398) is methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)N2CCCc3cc(OC)ccc32)CC1.
What is the InChIKey of methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is JCUCFCPYZDRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-16-5-6-17-15(12-16)4-3-9-21(17)18(22)13-20-10-7-14(8-11-20)19(23)25-2/h5-6,12,14H,3-4,7-11,13H2,1-2H3.
What are the key properties of methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 86913398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).