2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one

C23H19NO3 — CID 155547056

IUPAC2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc(N3CCOCC3)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H19NO3/c25-21-15-22(17-5-3-6-18(14-17)24-10-12-26-13-11-24)27-23-19-7-2-1-4-16(19)8-9-20(21)23/h1-9,14-15H,10-13H2
InChIKeyBHUMCTDKJCTGFC-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.45
Rot. Bonds2

About 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one

2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one (PubChem CID 155547056) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one
PubChem CID155547056
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cccc(N3CCOCC3)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H19NO3/c25-21-15-22(17-5-3-6-18(14-17)24-10-12-26-13-11-24)27-23-19-7-2-1-4-16(19)8-9-20(21)23/h1-9,14-15H,10-13H2
InChIKeyBHUMCTDKJCTGFC-UHFFFAOYSA-N
XLogP4.45
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one (CID 155547056) is 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one is O=c1cc(-c2cccc(N3CCOCC3)c2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one?
The InChIKey is BHUMCTDKJCTGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21-15-22(17-5-3-6-18(14-17)24-10-12-26-13-11-24)27-23-19-7-2-1-4-16(19)8-9-20(21)23/h1-9,14-15H,10-13H2.
What are the key properties of 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one?
2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one has a molecular weight of 357.41 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 155547056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).