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

C19H14N2O5 — CID 2705042

IUPAC4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc2N1
InChIInChI=1S/C19H14N2O5/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)11-25-13-7-5-12-6-8-19(24)26-16(12)9-13/h1-9H,10-11H2,(H,20,22)
InChIKeyDHIUBGSSWTWQGA-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.16
Rot. Bonds3

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

4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2705042) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2705042
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc2N1
InChIInChI=1S/C19H14N2O5/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)11-25-13-7-5-12-6-8-19(24)26-16(12)9-13/h1-9H,10-11H2,(H,20,22)
InChIKeyDHIUBGSSWTWQGA-UHFFFAOYSA-N
XLogP2.16
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
CID 7803707
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 27840479
4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 8563603
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (CID 2705042) is 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc2N1.
What is the InChIKey of 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DHIUBGSSWTWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)11-25-13-7-5-12-6-8-19(24)26-16(12)9-13/h1-9H,10-11H2,(H,20,22).
What are the key properties of 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 350.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).