6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one

C23H20N2O4 — CID 134153237

IUPAC6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2c1cc(-c1ccc(CO)cc1)c1ccccc12
InChIInChI=1S/C23H20N2O4/c26-14-15-5-7-16(8-6-15)19-13-20-21(18-4-2-1-3-17(18)19)29-23(24-22(20)27)25-9-11-28-12-10-25/h1-8,13,26H,9-12,14H2
InChIKeyBFIAFOKROUENBR-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.34
Rot. Bonds3

About 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one

6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one (PubChem CID 134153237) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one
PubChem CID134153237
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2c1cc(-c1ccc(CO)cc1)c1ccccc12
InChIInChI=1S/C23H20N2O4/c26-14-15-5-7-16(8-6-15)19-13-20-21(18-4-2-1-3-17(18)19)29-23(24-22(20)27)25-9-11-28-12-10-25/h1-8,13,26H,9-12,14H2
InChIKeyBFIAFOKROUENBR-UHFFFAOYSA-N
XLogP3.34
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one (CID 134153237) is 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one is O=c1nc(N2CCOCC2)oc2c1cc(-c1ccc(CO)cc1)c1ccccc12.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one?
The InChIKey is BFIAFOKROUENBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-14-15-5-7-16(8-6-15)19-13-20-21(18-4-2-1-3-17(18)19)29-23(24-22(20)27)25-9-11-28-12-10-25/h1-8,13,26H,9-12,14H2.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one?
6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one has a molecular weight of 388.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylbenzo[h][1,3]benzoxazin-4-one is sourced from PubChem (CID 134153237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).