4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one

C21H18N2O5 — CID 8563603

IUPAC4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)N3CC(=O)Nc4ccccc43)ccc12
InChIInChI=1S/C21H18N2O5/c1-12-9-20(26)28-21-13(2)17(8-7-14(12)21)27-11-19(25)23-10-18(24)22-15-5-3-4-6-16(15)23/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyWULCEZZDQLEURD-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.77
Rot. Bonds3

About 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8563603) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8563603
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)N3CC(=O)Nc4ccccc43)ccc12
InChIInChI=1S/C21H18N2O5/c1-12-9-20(26)28-21-13(2)17(8-7-14(12)21)27-11-19(25)23-10-18(24)22-15-5-3-4-6-16(15)23/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyWULCEZZDQLEURD-UHFFFAOYSA-N
XLogP2.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (CID 8563603) is 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC(=O)Nc4ccccc43)ccc12.
What is the InChIKey of 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WULCEZZDQLEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-12-9-20(26)28-21-13(2)17(8-7-14(12)21)27-11-19(25)23-10-18(24)22-15-5-3-4-6-16(15)23/h3-9H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 378.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8563603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).