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

C21H27NO2 — CID 71559417

IUPAC1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
InChIKeyZREKTMNXUFQZAY-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.33
Rot. Bonds2

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

1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 71559417) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID71559417
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
InChIKeyZREKTMNXUFQZAY-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 71559417) is 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZREKTMNXUFQZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3.
What are the key properties of 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 325.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 71559417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).