2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide

C22H30N4O3 — CID 50820460

IUPAC2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)CC3CCCCC3)cc21
InChIInChI=1S/C22H30N4O3/c1-24-18-13-16(23-20(27)12-15-8-4-3-5-9-15)17(26-10-6-7-11-26)14-19(18)25(2)22(29)21(24)28/h13-15H,3-12H2,1-2H3,(H,23,27)
InChIKeyCAYCZNQRCJDAIH-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.75
Rot. Bonds4

About 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide

2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide (PubChem CID 50820460) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
PubChem CID50820460
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)CC3CCCCC3)cc21
InChIInChI=1S/C22H30N4O3/c1-24-18-13-16(23-20(27)12-15-8-4-3-5-9-15)17(26-10-6-7-11-26)14-19(18)25(2)22(29)21(24)28/h13-15H,3-12H2,1-2H3,(H,23,27)
InChIKeyCAYCZNQRCJDAIH-UHFFFAOYSA-N
XLogP2.75
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide (CID 50820460) is 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)CC3CCCCC3)cc21.
What is the InChIKey of 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide?
The InChIKey is CAYCZNQRCJDAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-24-18-13-16(23-20(27)12-15-8-4-3-5-9-15)17(26-10-6-7-11-26)14-19(18)25(2)22(29)21(24)28/h13-15H,3-12H2,1-2H3,(H,23,27).
What are the key properties of 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide?
2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide is sourced from PubChem (CID 50820460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).