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

C17H15NO3 — CID 11471539

IUPAC4-morpholin-4-ylbenzo[h]chromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C17H15NO3/c19-16-11-15(18-7-9-20-10-8-18)14-6-5-12-3-1-2-4-13(12)17(14)21-16/h1-6,11H,7-10H2
InChIKeyQPPKEHFJUVBRAD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds1

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

4-morpholin-4-ylbenzo[h]chromen-2-one (PubChem CID 11471539) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-morpholin-4-ylbenzo[h]chromen-2-one.

Molecular Properties

Compound Name4-morpholin-4-ylbenzo[h]chromen-2-one
PubChem CID11471539
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-morpholin-4-ylbenzo[h]chromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C17H15NO3/c19-16-11-15(18-7-9-20-10-8-18)14-6-5-12-3-1-2-4-13(12)17(14)21-16/h1-6,11H,7-10H2
InChIKeyQPPKEHFJUVBRAD-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbenzo[h]chromen-2-one?
The IUPAC name of 4-morpholin-4-ylbenzo[h]chromen-2-one (CID 11471539) is 4-morpholin-4-ylbenzo[h]chromen-2-one.
What is the SMILES notation for 4-morpholin-4-ylbenzo[h]chromen-2-one?
The canonical SMILES for 4-morpholin-4-ylbenzo[h]chromen-2-one is O=c1cc(N2CCOCC2)c2ccc3ccccc3c2o1.
What is the InChIKey of 4-morpholin-4-ylbenzo[h]chromen-2-one?
The InChIKey is QPPKEHFJUVBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-11-15(18-7-9-20-10-8-18)14-6-5-12-3-1-2-4-13(12)17(14)21-16/h1-6,11H,7-10H2.
What are the key properties of 4-morpholin-4-ylbenzo[h]chromen-2-one?
4-morpholin-4-ylbenzo[h]chromen-2-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 4-morpholin-4-ylbenzo[h]chromen-2-one is sourced from PubChem (CID 11471539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).