2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide

C16H17N5O — CID 110440656

IUPAC2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3nccn3C)cc2nc1C
InChIInChI=1S/C16H17N5O/c1-10-11(2)20-14-8-12(4-5-13(14)19-10)16(22)18-9-15-17-6-7-21(15)3/h4-8H,9H2,1-3H3,(H,18,22)
InChIKeyIXYGGKWKYVHTIT-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.91
Rot. Bonds3

About 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 110440656) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
PubChem CID110440656
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3nccn3C)cc2nc1C
InChIInChI=1S/C16H17N5O/c1-10-11(2)20-14-8-12(4-5-13(14)19-10)16(22)18-9-15-17-6-7-21(15)3/h4-8H,9H2,1-3H3,(H,18,22)
InChIKeyIXYGGKWKYVHTIT-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
3-[4-[(1-methylimidazol-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76994692
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
CID 110468627
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
CID 72936192
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(1-methylimidazol-2-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110446701
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide (CID 110440656) is 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3nccn3C)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is IXYGGKWKYVHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-11(2)20-14-8-12(4-5-13(14)19-10)16(22)18-9-15-17-6-7-21(15)3/h4-8H,9H2,1-3H3,(H,18,22).
What are the key properties of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 110440656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).