2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide

C21H28N2O2 — CID 142675489

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H28N2O2/c24-19(13-23-7-3-5-15-4-1-2-6-18(15)23)22-20-16-8-14-9-17(20)12-21(25,10-14)11-16/h1-2,4,6,14,16-17,20,25H,3,5,7-13H2,(H,22,24)
InChIKeyUNBWUMUIOAPIOC-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.49
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide (PubChem CID 142675489) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
PubChem CID142675489
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H28N2O2/c24-19(13-23-7-3-5-15-4-1-2-6-18(15)23)22-20-16-8-14-9-17(20)12-21(25,10-14)11-16/h1-2,4,6,14,16-17,20,25H,3,5,7-13H2,(H,22,24)
InChIKeyUNBWUMUIOAPIOC-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide (CID 142675489) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide is O=C(CN1CCCc2ccccc21)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide?
The InChIKey is UNBWUMUIOAPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-19(13-23-7-3-5-15-4-1-2-6-18(15)23)22-20-16-8-14-9-17(20)12-21(25,10-14)11-16/h1-2,4,6,14,16-17,20,25H,3,5,7-13H2,(H,22,24).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide is sourced from PubChem (CID 142675489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).