4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C19H16N2O4 — CID 75415390

IUPAC4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2oc(C)c(C(=O)N3CC(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C19H16N2O4/c1-11-18(13-9-12(24-2)7-8-16(13)25-11)19(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyXONNTYQDVDEYNS-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.35
Rot. Bonds2

About 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 75415390) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID75415390
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2oc(C)c(C(=O)N3CC(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C19H16N2O4/c1-11-18(13-9-12(24-2)7-8-16(13)25-11)19(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyXONNTYQDVDEYNS-UHFFFAOYSA-N
XLogP3.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 75415390) is 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one is COc1ccc2oc(C)c(C(=O)N3CC(=O)Nc4ccccc43)c2c1.
What is the InChIKey of 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XONNTYQDVDEYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-18(13-9-12(24-2)7-8-16(13)25-11)19(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 336.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 75415390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).