N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide

C15H19N3O2 — CID 95990031

IUPACN-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-5-10(4)16-14(19)13-15(20)18-12-7-9(3)8(2)6-11(12)17-13/h6-7,10H,5H2,1-4H3,(H,16,19)(H,18,20)/t10-/m1/s1
InChIKeyOBGJTZLEETZLEQ-SNVBAGLBSA-N
MW273.34 g/mol
LogP2.07
Rot. Bonds3

About N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide

N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 95990031) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID95990031
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-5-10(4)16-14(19)13-15(20)18-12-7-9(3)8(2)6-11(12)17-13/h6-7,10H,5H2,1-4H3,(H,16,19)(H,18,20)/t10-/m1/s1
InChIKeyOBGJTZLEETZLEQ-SNVBAGLBSA-N
XLogP2.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide with MolForge

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Related Compounds

3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
CID 18526145
N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698591
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874590
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
CID 125170749
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 67909950
2-N-butan-2-yl-5-methylpyridine-2,3-dicarboxamide
CID 15679408

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 95990031) is N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide is CC[C@@H](C)NC(=O)c1nc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is OBGJTZLEETZLEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-10(4)16-14(19)13-15(20)18-12-7-9(3)8(2)6-11(12)17-13/h6-7,10H,5H2,1-4H3,(H,16,19)(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 95990031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).