1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

C15H17N3O — CID 117007200

IUPAC1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1CC(=O)N(C2CCCC2)c2ccc(C#N)cc21
InChIInChI=1S/C15H17N3O/c1-17-10-15(19)18(12-4-2-3-5-12)13-7-6-11(9-16)8-14(13)17/h6-8,12H,2-5,10H2,1H3
InChIKeyQMWASSUWGZDBRH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.28
Rot. Bonds1

About 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (PubChem CID 117007200) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
PubChem CID117007200
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1CC(=O)N(C2CCCC2)c2ccc(C#N)cc21
InChIInChI=1S/C15H17N3O/c1-17-10-15(19)18(12-4-2-3-5-12)13-7-6-11(9-16)8-14(13)17/h6-8,12H,2-5,10H2,1H3
InChIKeyQMWASSUWGZDBRH-UHFFFAOYSA-N
XLogP2.28
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The IUPAC name of 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (CID 117007200) is 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The canonical SMILES for 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is CN1CC(=O)N(C2CCCC2)c2ccc(C#N)cc21.
What is the InChIKey of 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The InChIKey is QMWASSUWGZDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-10-15(19)18(12-4-2-3-5-12)13-7-6-11(9-16)8-14(13)17/h6-8,12H,2-5,10H2,1H3.
What are the key properties of 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).