4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C22H14N2O4 — CID 16863949

IUPAC4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)c2ccccc2N1
InChIInChI=1S/C22H14N2O4/c25-20-12-24(18-8-4-3-7-17(18)23-20)21(26)16-11-15-14-6-2-1-5-13(14)9-10-19(15)28-22(16)27/h1-11H,12H2,(H,23,25)
InChIKeyLBJAGTVCXZCRQX-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.55
Rot. Bonds1

About 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863949) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863949
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)c2ccccc2N1
InChIInChI=1S/C22H14N2O4/c25-20-12-24(18-8-4-3-7-17(18)23-20)21(26)16-11-15-14-6-2-1-5-13(14)9-10-19(15)28-22(16)27/h1-11H,12H2,(H,23,25)
InChIKeyLBJAGTVCXZCRQX-UHFFFAOYSA-N
XLogP3.55
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
CID 19132811
4-[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17472214
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 75415390
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
CID 139228161
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
CID 19132814
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 16863949) is 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)c2ccccc2N1.
What is the InChIKey of 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is LBJAGTVCXZCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-20-12-24(18-8-4-3-7-17(18)23-20)21(26)16-11-15-14-6-2-1-5-13(14)9-10-19(15)28-22(16)27/h1-11H,12H2,(H,23,25).
What are the key properties of 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 370.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).