N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide

C18H17N3O2 — CID 2231787

IUPACN-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H17N3O2/c1-11-12(2)20-16-10-13(8-9-14(16)19-11)18(22)21-15-6-4-5-7-17(15)23-3/h4-10H,1-3H3,(H,21,22)
InChIKeyWBBVGSPUKZPBBI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.51
Rot. Bonds3

About N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 2231787) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID2231787
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H17N3O2/c1-11-12(2)20-16-10-13(8-9-14(16)19-11)18(22)21-15-6-4-5-7-17(15)23-3/h4-10H,1-3H3,(H,21,22)
InChIKeyWBBVGSPUKZPBBI-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 2231787) is N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide is COc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WBBVGSPUKZPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-12(2)20-16-10-13(8-9-14(16)19-11)18(22)21-15-6-4-5-7-17(15)23-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 2231787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).