3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide

C21H23N3O2 — CID 50779903

IUPAC3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-12(2)15-6-8-16(9-7-15)22-20(25)19-21(26-5)24-18-11-14(4)13(3)10-17(18)23-19/h6-12H,1-5H3,(H,22,25)
InChIKeyQAJUMRZIMBNGFG-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.63
Rot. Bonds4

About 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide

3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide (PubChem CID 50779903) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
PubChem CID50779903
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23N3O2/c1-12(2)15-6-8-16(9-7-15)22-20(25)19-21(26-5)24-18-11-14(4)13(3)10-17(18)23-19/h6-12H,1-5H3,(H,22,25)
InChIKeyQAJUMRZIMBNGFG-UHFFFAOYSA-N
XLogP4.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779889
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 22917108
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
CID 19443211

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide (CID 50779903) is 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide is COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide?
The InChIKey is QAJUMRZIMBNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-12(2)15-6-8-16(9-7-15)22-20(25)19-21(26-5)24-18-11-14(4)13(3)10-17(18)23-19/h6-12H,1-5H3,(H,22,25).
What are the key properties of 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide?
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 50779903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).