N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide

C14H19N3O2 — CID 110669697

IUPACN-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCN1C(=O)CN(C(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)15-13(19)17-9-12(18)16(4)10-7-5-6-8-11(10)17/h5-8H,9H2,1-4H3,(H,15,19)
InChIKeyUDHHBDCECFVNPI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds

About N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide

N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 110669697) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID110669697
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCN1C(=O)CN(C(=O)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)15-13(19)17-9-12(18)16(4)10-7-5-6-8-11(10)17/h5-8H,9H2,1-4H3,(H,15,19)
InChIKeyUDHHBDCECFVNPI-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide (CID 110669697) is N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide is CN1C(=O)CN(C(=O)NC(C)(C)C)c2ccccc21.
What is the InChIKey of N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is UDHHBDCECFVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)15-13(19)17-9-12(18)16(4)10-7-5-6-8-11(10)17/h5-8H,9H2,1-4H3,(H,15,19).
What are the key properties of N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide?
N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 110669697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).