1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C22H29NO2 — CID 71559418

IUPAC1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3
InChIKeyCLJSEPHWOLCFPG-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.72
Rot. Bonds3

About 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 71559418) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID71559418
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3
InChIKeyCLJSEPHWOLCFPG-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 71559418) is 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is CCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CLJSEPHWOLCFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3.
What are the key properties of 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 339.48 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 71559418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).