N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C14H19N3O2 — CID 2873401

IUPACN-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCCCCNC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2/c1-2-3-8-15-13(18)9-12-14(19)17-11-7-5-4-6-10(11)16-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyAJEYFQDENHESEJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds5

About N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2873401) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2873401
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCCCCNC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2/c1-2-3-8-15-13(18)9-12-14(19)17-11-7-5-4-6-10(11)16-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyAJEYFQDENHESEJ-UHFFFAOYSA-N
XLogP1.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2873401) is N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is CCCCNC(=O)CC1Nc2ccccc2NC1=O.
What is the InChIKey of N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is AJEYFQDENHESEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-3-8-15-13(18)9-12-14(19)17-11-7-5-4-6-10(11)16-12/h4-7,12,16H,2-3,8-9H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2873401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).