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

C20H25NO — CID 2851184

IUPAC1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
InChIKeyKDDFVDYZIBZTGJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.18
Rot. Bonds1

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

1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2851184) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2851184
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
InChIKeyKDDFVDYZIBZTGJ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2851184) is 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KDDFVDYZIBZTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2.
What are the key properties of 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2851184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).