3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile

C15H15N3O2 — CID 117031312

IUPAC3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C1CCC(=O)CC1)C(=O)CN2
InChIInChI=1S/C15H15N3O2/c16-8-10-1-6-13-14(7-10)18(15(20)9-17-13)11-2-4-12(19)5-3-11/h1,6-7,11,17H,2-5,9H2
InChIKeyGYAUEHQAGQDPQI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.83
Rot. Bonds1

About 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile

3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile (PubChem CID 117031312) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile
PubChem CID117031312
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C1CCC(=O)CC1)C(=O)CN2
InChIInChI=1S/C15H15N3O2/c16-8-10-1-6-13-14(7-10)18(15(20)9-17-13)11-2-4-12(19)5-3-11/h1,6-7,11,17H,2-5,9H2
InChIKeyGYAUEHQAGQDPQI-UHFFFAOYSA-N
XLogP1.83
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile 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 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile (CID 117031312) is 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(C1CCC(=O)CC1)C(=O)CN2.
What is the InChIKey of 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile?
The InChIKey is GYAUEHQAGQDPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-8-10-1-6-13-14(7-10)18(15(20)9-17-13)11-2-4-12(19)5-3-11/h1,6-7,11,17H,2-5,9H2.
What are the key properties of 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile?
3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117031312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).