6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide

C21H23N3O2 — CID 50779894

IUPAC6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3C)nc2cc1C
InChIInChI=1S/C21H23N3O2/c1-12(2)26-21-19(20(25)23-16-9-7-6-8-13(16)3)22-17-10-14(4)15(5)11-18(17)24-21/h6-12H,1-5H3,(H,23,25)
InChIKeyHTAFWFQMSGOILT-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.59
Rot. Bonds4

About 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide

6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide (PubChem CID 50779894) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide
PubChem CID50779894
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide
SMILESCc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3C)nc2cc1C
InChIInChI=1S/C21H23N3O2/c1-12(2)26-21-19(20(25)23-16-9-7-6-8-13(16)3)22-17-10-14(4)15(5)11-18(17)24-21/h6-12H,1-5H3,(H,23,25)
InChIKeyHTAFWFQMSGOILT-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
3-(diethylamino)-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 46365128
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide?
The IUPAC name of 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide (CID 50779894) is 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide is Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccccc3C)nc2cc1C.
What is the InChIKey of 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide?
The InChIKey is HTAFWFQMSGOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-12(2)26-21-19(20(25)23-16-9-7-6-8-13(16)3)22-17-10-14(4)15(5)11-18(17)24-21/h6-12H,1-5H3,(H,23,25).
What are the key properties of 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide?
6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).