N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide

C15H19N3O2 — CID 11311845

IUPACN-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide
SMILESCCc1nc2cc(C(NC=O)C(C)C)ccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-4-11-15(20)18-12-6-5-10(7-13(12)17-11)14(9(2)3)16-8-19/h5-9,14H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyYTBXZBWVVDSXHO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds5

About N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide

N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide (PubChem CID 11311845) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide
PubChem CID11311845
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide
SMILESCCc1nc2cc(C(NC=O)C(C)C)ccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-4-11-15(20)18-12-6-5-10(7-13(12)17-11)14(9(2)3)16-8-19/h5-9,14H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyYTBXZBWVVDSXHO-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide?
The IUPAC name of N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide (CID 11311845) is N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide.
What is the SMILES notation for N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide?
The canonical SMILES for N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide is CCc1nc2cc(C(NC=O)C(C)C)ccc2[nH]c1=O.
What is the InChIKey of N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide?
The InChIKey is YTBXZBWVVDSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-15(20)18-12-6-5-10(7-13(12)17-11)14(9(2)3)16-8-19/h5-9,14H,4H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide?
N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide has a molecular weight of 273.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)-2-methylpropyl]formamide is sourced from PubChem (CID 11311845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).