N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

C28H28N4O2 — CID 11751355

IUPACN-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCc1cccc(C(C(=O)NC2CCCCC2)n2c(=O)c(-c3ccccc3)nc3ccccc32)n1
InChIInChI=1S/C28H28N4O2/c1-19-11-10-17-23(29-19)26(27(33)30-21-14-6-3-7-15-21)32-24-18-9-8-16-22(24)31-25(28(32)34)20-12-4-2-5-13-20/h2,4-5,8-13,16-18,21,26H,3,6-7,14-15H2,1H3,(H,30,33)
InChIKeySUYOZHFVAOPMTO-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.81
Rot. Bonds5

About N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (PubChem CID 11751355) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
PubChem CID11751355
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCc1cccc(C(C(=O)NC2CCCCC2)n2c(=O)c(-c3ccccc3)nc3ccccc32)n1
InChIInChI=1S/C28H28N4O2/c1-19-11-10-17-23(29-19)26(27(33)30-21-14-6-3-7-15-21)32-24-18-9-8-16-22(24)31-25(28(32)34)20-12-4-2-5-13-20/h2,4-5,8-13,16-18,21,26H,3,6-7,14-15H2,1H3,(H,30,33)
InChIKeySUYOZHFVAOPMTO-UHFFFAOYSA-N
XLogP4.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (CID 11751355) is N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is Cc1cccc(C(C(=O)NC2CCCCC2)n2c(=O)c(-c3ccccc3)nc3ccccc32)n1.
What is the InChIKey of N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The InChIKey is SUYOZHFVAOPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-11-10-17-23(29-19)26(27(33)30-21-14-6-3-7-15-21)32-24-18-9-8-16-22(24)31-25(28(32)34)20-12-4-2-5-13-20/h2,4-5,8-13,16-18,21,26H,3,6-7,14-15H2,1H3,(H,30,33).
What are the key properties of N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-methyl-2-pyridinyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is sourced from PubChem (CID 11751355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).