N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C22H27N3O2 — CID 50808151

IUPACN-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccc2n(C)c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-20(26)19-21(27)25(2)18-6-4-3-5-17(18)24-19/h3-6,13-16H,7-12H2,1-2H3,(H,23,26)
InChIKeyHLJAJSZRZYBEOF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 50808151) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID50808151
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccc2n(C)c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-20(26)19-21(27)25(2)18-6-4-3-5-17(18)24-19/h3-6,13-16H,7-12H2,1-2H3,(H,23,26)
InChIKeyHLJAJSZRZYBEOF-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 50808151) is N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is CC(NC(=O)c1nc2ccccc2n(C)c1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is HLJAJSZRZYBEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-20(26)19-21(27)25(2)18-6-4-3-5-17(18)24-19/h3-6,13-16H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 50808151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).