2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide

C21H18N4O — CID 110745511

IUPAC2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cnc4ccccc4c3)cc2nc1C
InChIInChI=1S/C21H18N4O/c1-13-14(2)25-20-10-17(7-8-19(20)24-13)21(26)23-12-15-9-16-5-3-4-6-18(16)22-11-15/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyMLCRJOGEDYORIH-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.72
Rot. Bonds3

About 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide

2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 110745511) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
PubChem CID110745511
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cnc4ccccc4c3)cc2nc1C
InChIInChI=1S/C21H18N4O/c1-13-14(2)25-20-10-17(7-8-19(20)24-13)21(26)23-12-15-9-16-5-3-4-6-18(16)22-11-15/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyMLCRJOGEDYORIH-UHFFFAOYSA-N
XLogP3.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72938319

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide (CID 110745511) is 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3cnc4ccccc4c3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is MLCRJOGEDYORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-13-14(2)25-20-10-17(7-8-19(20)24-13)21(26)23-12-15-9-16-5-3-4-6-18(16)22-11-15/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide?
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 110745511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).