2-morpholin-4-ylbenzo[g]chromen-4-one

C17H15NO3 — CID 11437483

IUPAC2-morpholin-4-ylbenzo[g]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc3ccccc3cc12
InChIInChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
InChIKeyFKURMCWOGPDJSJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds1

About 2-morpholin-4-ylbenzo[g]chromen-4-one

2-morpholin-4-ylbenzo[g]chromen-4-one (PubChem CID 11437483) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-morpholin-4-ylbenzo[g]chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-ylbenzo[g]chromen-4-one
PubChem CID11437483
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-morpholin-4-ylbenzo[g]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc3ccccc3cc12
InChIInChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
InChIKeyFKURMCWOGPDJSJ-UHFFFAOYSA-N
XLogP2.78
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbenzo[g]chromen-4-one?
The IUPAC name of 2-morpholin-4-ylbenzo[g]chromen-4-one (CID 11437483) is 2-morpholin-4-ylbenzo[g]chromen-4-one.
What is the SMILES notation for 2-morpholin-4-ylbenzo[g]chromen-4-one?
The canonical SMILES for 2-morpholin-4-ylbenzo[g]chromen-4-one is O=c1cc(N2CCOCC2)oc2cc3ccccc3cc12.
What is the InChIKey of 2-morpholin-4-ylbenzo[g]chromen-4-one?
The InChIKey is FKURMCWOGPDJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2.
What are the key properties of 2-morpholin-4-ylbenzo[g]chromen-4-one?
2-morpholin-4-ylbenzo[g]chromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylbenzo[g]chromen-4-one is sourced from PubChem (CID 11437483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).