N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C16H19N3O3 — CID 2442931

IUPACN-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H19N3O3/c1-2-19-13-8-7-10(9-12(13)18-15(21)16(19)22)14(20)17-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyPERLOKLEBFVALK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.38
Rot. Bonds3

About N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 2442931) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID2442931
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H19N3O3/c1-2-19-13-8-7-10(9-12(13)18-15(21)16(19)22)14(20)17-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyPERLOKLEBFVALK-UHFFFAOYSA-N
XLogP1.38
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 2442931) is N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is PERLOKLEBFVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-19-13-8-7-10(9-12(13)18-15(21)16(19)22)14(20)17-11-5-3-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 2442931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).