[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C26H34N2O5 — CID 55469236

IUPAC[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34N2O5/c1-32-21-4-5-22-20(10-21)3-2-6-28(22)24(30)16-33-25(31)15-27-23(29)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-5,10,17-19H,2-3,6-9,11-16H2,1H3,(H,27,29)
InChIKeyAMVFQTRRWZUEAG-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.24
Rot. Bonds7

About [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 55469236) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID55469236
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34N2O5/c1-32-21-4-5-22-20(10-21)3-2-6-28(22)24(30)16-33-25(31)15-27-23(29)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-5,10,17-19H,2-3,6-9,11-16H2,1H3,(H,27,29)
InChIKeyAMVFQTRRWZUEAG-UHFFFAOYSA-N
XLogP3.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55481645
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 36644404
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251664
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
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-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 55469236) is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is COc1ccc2c(c1)CCCN2C(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is AMVFQTRRWZUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-32-21-4-5-22-20(10-21)3-2-6-28(22)24(30)16-33-25(31)15-27-23(29)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-5,10,17-19H,2-3,6-9,11-16H2,1H3,(H,27,29).
What are the key properties of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 454.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 55469236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).