5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one

C18H18N2O3 — CID 11278319

IUPAC5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one
SMILESCc1cc(N2CCOCC2)cc2c1c(=O)n(O)c1ccccc21
InChIInChI=1S/C18H18N2O3/c1-12-10-13(19-6-8-23-9-7-19)11-15-14-4-2-3-5-16(14)20(22)18(21)17(12)15/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOVCPCQAJFHXKDU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.54
Rot. Bonds1

About 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one

5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one (PubChem CID 11278319) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one.

Molecular Properties

Compound Name5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one
PubChem CID11278319
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one
SMILESCc1cc(N2CCOCC2)cc2c1c(=O)n(O)c1ccccc21
InChIInChI=1S/C18H18N2O3/c1-12-10-13(19-6-8-23-9-7-19)11-15-14-4-2-3-5-16(14)20(22)18(21)17(12)15/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOVCPCQAJFHXKDU-UHFFFAOYSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one?
The IUPAC name of 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one (CID 11278319) is 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one.
What is the SMILES notation for 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one?
The canonical SMILES for 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one is Cc1cc(N2CCOCC2)cc2c1c(=O)n(O)c1ccccc21.
What is the InChIKey of 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one?
The InChIKey is OVCPCQAJFHXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-10-13(19-6-8-23-9-7-19)11-15-14-4-2-3-5-16(14)20(22)18(21)17(12)15/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one?
5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one has a molecular weight of 310.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methyl-9-morpholin-4-ylphenanthridin-6-one is sourced from PubChem (CID 11278319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).