N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide

C15H19N3O3 — CID 56714407

IUPACN-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCOCC(C)(C)CNC(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O3/c1-15(2,9-21-3)8-16-13(19)12-14(20)18-11-7-5-4-6-10(11)17-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyCERSIEFAMHXODC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.33
Rot. Bonds5

About N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide

N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 56714407) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID56714407
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCOCC(C)(C)CNC(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O3/c1-15(2,9-21-3)8-16-13(19)12-14(20)18-11-7-5-4-6-10(11)17-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyCERSIEFAMHXODC-UHFFFAOYSA-N
XLogP1.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea
CID 122558967
2-methyl-4-[1-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]propan-2-yloxy]butanoic acid
CID 67149616
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481651
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 50952721
tert-butyl 2-[3-[2-[2-[2-[2-[2-[2-[2-[4-oxo-4-(3-oxo-4H-quinoxalin-2-yl)butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]acetate
CID 158915636
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide (CID 56714407) is N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide is COCC(C)(C)CNC(=O)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is CERSIEFAMHXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,9-21-3)8-16-13(19)12-14(20)18-11-7-5-4-6-10(11)17-12/h4-7H,8-9H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide?
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 56714407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).