1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C20H26N2O — CID 71559522

IUPAC1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
InChIKeyXFUZEHDTQWLVQK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.69
Rot. Bonds1

About 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71559522) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71559522
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
InChIKeyXFUZEHDTQWLVQK-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71559522) is 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is XFUZEHDTQWLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3.
What are the key properties of 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 310.44 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71559522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).