N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide

C20H17N3O4 — CID 55363635

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc3nc(C)c(C)nc3c1)OCO2
InChIInChI=1S/C20H17N3O4/c1-10-11(2)22-17-6-13(4-5-15(17)21-10)20(25)23-16-8-19-18(26-9-27-19)7-14(16)12(3)24/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyWCAXFALUOVDBSM-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.43
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 55363635) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID55363635
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc3nc(C)c(C)nc3c1)OCO2
InChIInChI=1S/C20H17N3O4/c1-10-11(2)22-17-6-13(4-5-15(17)21-10)20(25)23-16-8-19-18(26-9-27-19)7-14(16)12(3)24/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyWCAXFALUOVDBSM-UHFFFAOYSA-N
XLogP3.43
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
CID 51283741
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
CID 2541719
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide (CID 55363635) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1ccc3nc(C)c(C)nc3c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WCAXFALUOVDBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-10-11(2)22-17-6-13(4-5-15(17)21-10)20(25)23-16-8-19-18(26-9-27-19)7-14(16)12(3)24/h4-8H,9H2,1-3H3,(H,23,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55363635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).